CAS RN: 83310-97-8
CAS Name: 4,4,5,5,6,6,7,7,7-nonafluoro-1-heptanol
OPENEYE Name: 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-ol
IUPAC Name: 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-ol
SYSTEMATIC NAME: 4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)heptan-1-ol
MOLECULAR FORMULA: C7H7F9O
MOLECULAR WEIGHT: 278.115509
SMILES: C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CO
Structure:
CAS RN: 711602-67-4
CAS Name: [2,5-bis(trifluoromethyl)phenyl]hydrazine
OPENEYE Name: [2,5-bis(trifluoromethyl)phenyl]hydrazine
IUPAC Name: [2,5-bis(trifluoromethyl)phenyl]hydrazine
SYSTEMATIC NAME: [2,5-bis(trifluoromethyl)phenyl]diazane
MOLECULAR FORMULA: C8H6F6N2
MOLECULAR WEIGHT: 244.137059
SMILES: C1=CC(=C(C=C1C(F)(F)F)NN)C(F)(F)F
Structure:
CAS RN: 1128-74-1
CAS Name: 7-fluoro-2-methylquinoline
OPENEYE Name: 7-fluoro-2-methyl-quinoline
IUPAC Name: 7-fluoro-2-methylquinoline
SYSTEMATIC NAME: 7-fluoranyl-2-methyl-quinoline
MOLECULAR FORMULA: C10H8FN
MOLECULAR WEIGHT: 161.175623
SMILES: CC1=NC2=C(C=C1)C=CC(=C2)F
Structure:
CAS RN: 33143-29-2
CAS Name: 2,2-dimethyl-1-benzopyran-6-carbonitrile
OPENEYE Name: 2,2-dimethylchromene-6-carbonitrile
IUPAC Name: 2,2-dimethylchromene-6-carbonitrile
SYSTEMATIC NAME: 2,2-dimethylchromene-6-carbonitrile
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C#N)C
Structure:
CAS RN: 33143-92-9
CAS Name: 4-(2-methylbut-3-yn-2-yloxy)benzonitrile
OPENEYE Name: 4-(1,1-dimethylprop-2-ynoxy)benzonitrile
IUPAC Name: 4-(2-methylbut-3-yn-2-yloxy)benzonitrile
SYSTEMATIC NAME: 4-(2-methylbut-3-yn-2-yloxy)benzenecarbonitrile
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CC(C)(C#C)OC1=CC=C(C=C1)C#N
Structure:
CAS RN: 185545-90-8
CAS Name: (1R)-1-(2-fluorophenyl)ethanamine
OPENEYE Name: (1R)-1-(2-fluorophenyl)ethanamine
IUPAC Name: (1R)-1-(2-fluorophenyl)ethanamine
SYSTEMATIC NAME: (1R)-1-(2-fluorophenyl)ethanamine
MOLECULAR FORMULA: C8H10FN
MOLECULAR WEIGHT: 139.170103
SMILES: C[C@H](C1=CC=CC=C1F)N
Structure:
CAS RN: 84499-73-0
CAS Name: (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
OPENEYE Name: (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
IUPAC Name: (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
SYSTEMATIC NAME: (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
MOLECULAR FORMULA: C9H10F3N
MOLECULAR WEIGHT: 189.17761
SMILES: C[C@@H](C1=CC=C(C=C1)C(F)(F)F)N
Structure:
CAS RN: 127852-30-6
CAS Name: (1R)-1-[3-(trifluoromethyl)phenyl]ethanamine
OPENEYE Name: (1R)-1-[3-(trifluoromethyl)phenyl]ethanamine
IUPAC Name: (1R)-1-[3-(trifluoromethyl)phenyl]ethanamine
SYSTEMATIC NAME: (1R)-1-[3-(trifluoromethyl)phenyl]ethanamine
MOLECULAR FORMULA: C9H10F3N
MOLECULAR WEIGHT: 189.17761
SMILES: C[C@H](C1=CC(=CC=C1)C(F)(F)F)N
Structure:
CAS RN: 127733-46-4
CAS Name: (1R)-1-[2-(trifluoromethyl)phenyl]ethanamine
OPENEYE Name: (1R)-1-[2-(trifluoromethyl)phenyl]ethanamine
IUPAC Name: (1R)-1-[2-(trifluoromethyl)phenyl]ethanamine
SYSTEMATIC NAME: (1R)-1-[2-(trifluoromethyl)phenyl]ethanamine
MOLECULAR FORMULA: C9H10F3N
MOLECULAR WEIGHT: 189.17761
SMILES: C[C@H](C1=CC=CC=C1C(F)(F)F)N
Structure:
CAS RN: 79756-81-3
CAS Name: (1R)-1-[2-(trifluoromethyl)phenyl]ethanol
OPENEYE Name: (1R)-1-[2-(trifluoromethyl)phenyl]ethanol
IUPAC Name: (1R)-1-[2-(trifluoromethyl)phenyl]ethanol
SYSTEMATIC NAME: (1R)-1-[2-(trifluoromethyl)phenyl]ethanol
MOLECULAR FORMULA: C9H9F3O
MOLECULAR WEIGHT: 190.16237
SMILES: C[C@H](C1=CC=CC=C1C(F)(F)F)O
Structure:
CAS RN: 127852-28-2
CAS Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
OPENEYE Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
IUPAC Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
SYSTEMATIC NAME: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
MOLECULAR FORMULA: C10H8F6O
MOLECULAR WEIGHT: 258.160339
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
Structure:
CAS RN: 152894-10-5
CAS Name: 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
OPENEYE Name: 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
IUPAC Name: 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SYSTEMATIC NAME: 1,1,2,2,2-pentakis(fluoranyl)-N-[1,1,2,2,2-pentakis(fluoranyl)ethylsulfonyl]ethanesulfonamide
MOLECULAR FORMULA: C4HF10NO4S2
MOLECULAR WEIGHT: 381.169072
SMILES: C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F
Structure:
CAS RN: 320-43-4
CAS Name: 4-chloro-2-(trifluoromethyl)benzaldehyde
OPENEYE Name: 4-chloro-2-(trifluoromethyl)benzaldehyde
IUPAC Name: 4-chloro-2-(trifluoromethyl)benzaldehyde
SYSTEMATIC NAME: 4-chloranyl-2-(trifluoromethyl)benzaldehyde
MOLECULAR FORMULA: C8H4ClF3O
MOLECULAR WEIGHT: 208.56497
SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)C=O
Structure:
CAS RN: 205445-52-9
CAS Name: (2S)-3-(3,5-difluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3,5-difluorophenyl)propanoic acid
IUPAC Name: (2S)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: (2S)-3-[3,5-bis(fluoranyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H17F2NO4
MOLECULAR WEIGHT: 301.285886
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)C(=O)O
Structure:
CAS RN: 471-32-9
CAS Name: aminocarbamodithioic acid
OPENEYE Name: aminocarbamodithioic acid
IUPAC Name: aminocarbamodithioic acid
SYSTEMATIC NAME: azanylcarbamodithioic acid
MOLECULAR FORMULA: CH4N2S2
MOLECULAR WEIGHT: 108.18586
SMILES: C(=S)(NN)S
Structure:
CAS RN: 20469-71-0
CAS Name: aminocarbamodithioic acid; hydrazine
OPENEYE Name: aminocarbamodithioic acid; hydrazine
IUPAC Name: aminocarbamodithioic acid; hydrazine
SYSTEMATIC NAME: azanylcarbamodithioic acid; diazane
MOLECULAR FORMULA: CH8N4S2
MOLECULAR WEIGHT: 140.23102
SMILES: C(=S)(NN)S.NN
Structure:
CAS RN: 27064-89-7
CAS Name: 1-[(4-fluorophenyl)-phenylmethyl]piperazine
OPENEYE Name: 1-[(4-fluorophenyl)-phenyl-methyl]piperazine
IUPAC Name: 1-[(4-fluorophenyl)-phenylmethyl]piperazine
SYSTEMATIC NAME: 1-[(4-fluorophenyl)-phenyl-methyl]piperazine
MOLECULAR FORMULA: C17H19FN2
MOLECULAR WEIGHT: 270.344563
SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F
Structure:
CAS RN: 151504-80-2
CAS Name: 2-chloro-4-nitro-1-(trifluoromethyl)benzene
OPENEYE Name: 2-chloro-4-nitro-1-(trifluoromethyl)benzene
IUPAC Name: 2-chloro-4-nitro-1-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-chloranyl-4-nitro-1-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3ClF3NO2
MOLECULAR WEIGHT: 225.55243
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(F)(F)F
Structure:
CAS RN: 54013-55-7
CAS Name: 4,4-dimethyl-2-oxazolidinethione
OPENEYE Name: 4,4-dimethyloxazolidine-2-thione
IUPAC Name: 4,4-dimethyl-1,3-oxazolidine-2-thione
SYSTEMATIC NAME: 4,4-dimethyl-1,3-oxazolidine-2-thione
MOLECULAR FORMULA: C5H9NOS
MOLECULAR WEIGHT: 131.19606
SMILES: CC1(COC(=S)N1)C
Structure:
CAS RN: 502625-50-5
CAS Name: 2-(1,3-benzoxazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
OPENEYE Name: 2-(1,3-benzoxazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
IUPAC Name: 2-(1,3-benzoxazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
MOLECULAR FORMULA: C16H12F3NO2
MOLECULAR WEIGHT: 307.26719
SMILES: C1=CC=C2C(=C1)N=C(O2)CC(C3=CC=C(C=C3)C(F)(F)F)O
Structure:
CAS RN: 115643-59-9
CAS Name: 2-amino-6-fluorobenzamide
OPENEYE Name: 2-amino-6-fluoro-benzamide
IUPAC Name: 2-amino-6-fluorobenzamide
SYSTEMATIC NAME: 2-azanyl-6-fluoranyl-benzamide
MOLECULAR FORMULA: C7H7FN2O
MOLECULAR WEIGHT: 154.141683
SMILES: C1=CC(=C(C(=C1)F)C(=O)N)N
Structure:
CAS RN: 351003-36-6
CAS Name: 2-fluoro-5-iodobenzonitrile
OPENEYE Name: 2-fluoro-5-iodo-benzonitrile
IUPAC Name: 2-fluoro-5-iodobenzonitrile
SYSTEMATIC NAME: 2-fluoranyl-5-iodanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3FIN
MOLECULAR WEIGHT: 247.008293
SMILES: C1=CC(=C(C=C1I)C#N)F
Structure:
CAS RN: 124700-41-0
CAS Name: 2-fluoro-5-iodobenzoic acid
OPENEYE Name: 2-fluoro-5-iodo-benzoic acid
IUPAC Name: 2-fluoro-5-iodobenzoic acid
SYSTEMATIC NAME: 2-fluoranyl-5-iodanyl-benzoic acid
MOLECULAR FORMULA: C7H4FIO2
MOLECULAR WEIGHT: 266.008333
SMILES: C1=CC(=C(C=C1I)C(=O)O)F
Structure:
CAS RN: 16718-12-0
CAS Name: 2-(phenylthio)thiophene
OPENEYE Name: 2-phenylsulfanylthiophene
IUPAC Name: 2-phenylsulfanylthiophene
SYSTEMATIC NAME: 2-phenylsulfanylthiophene
MOLECULAR FORMULA: C10H8S2
MOLECULAR WEIGHT: 192.30052
SMILES: C1=CC=C(C=C1)SC2=CC=CS2
Structure:
CAS RN: 351003-23-1
CAS Name: 3-cyano-4-fluorobenzenesulfonyl chloride
OPENEYE Name: 3-cyano-4-fluoro-benzenesulfonyl chloride
IUPAC Name: 3-cyano-4-fluorobenzenesulfonyl chloride
SYSTEMATIC NAME: 3-cyano-4-fluoranyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H3ClFNO2S
MOLECULAR WEIGHT: 219.620623
SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C#N)F
Structure:
CAS RN: 214210-30-7
CAS Name: 4-bromo-2-fluorobenzenesulfonamide
OPENEYE Name: 4-bromo-2-fluoro-benzenesulfonamide
IUPAC Name: 4-bromo-2-fluorobenzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-2-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C6H5BrFNO2S
MOLECULAR WEIGHT: 254.076803
SMILES: C1=CC(=C(C=C1Br)F)S(=O)(=O)N
Structure:
CAS RN: 16718-11-9
CAS Name: 3-(phenylthio)thiophene
OPENEYE Name: 3-phenylsulfanylthiophene
IUPAC Name: 3-phenylsulfanylthiophene
SYSTEMATIC NAME: 3-phenylsulfanylthiophene
MOLECULAR FORMULA: C10H8S2
MOLECULAR WEIGHT: 192.30052
SMILES: C1=CC=C(C=C1)SC2=CSC=C2
Structure:
CAS RN: 83279-38-3
CAS Name: 3-chloro-4-(trifluoromethoxy)benzaldehyde
OPENEYE Name: 3-chloro-4-(trifluoromethoxy)benzaldehyde
IUPAC Name: 3-chloro-4-(trifluoromethoxy)benzaldehyde
SYSTEMATIC NAME: 3-chloranyl-4-(trifluoromethyloxy)benzaldehyde
MOLECULAR FORMULA: C8H4ClF3O2
MOLECULAR WEIGHT: 224.56437
SMILES: C1=CC(=C(C=C1C=O)Cl)OC(F)(F)F
Structure:
CAS RN: 138872-44-3
CAS Name: 5-(benzamidomethyl)-2-thiophenesulfonyl chloride
OPENEYE Name: 5-(benzamidomethyl)thiophene-2-sulfonyl chloride
IUPAC Name: 5-(benzamidomethyl)thiophene-2-sulfonyl chloride
SYSTEMATIC NAME: 5-(benzamidomethyl)thiophene-2-sulfonyl chloride
MOLECULAR FORMULA: C12H10ClNO3S2
MOLECULAR WEIGHT: 315.7957
SMILES: C1=CC=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)Cl
Structure:
CAS RN: 126581-65-5
CAS Name: 2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone
OPENEYE Name: 2-bromo-1-(5-fluoro-2-hydroxy-phenyl)ethanone
IUPAC Name: 2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(5-fluoranyl-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H6BrFO2
MOLECULAR WEIGHT: 233.034443
SMILES: C1=CC(=C(C=C1F)C(=O)CBr)O
Structure:
CAS RN: 1996-23-2
CAS Name: 3,4,5,6-tetrafluorobenzene-1,2-diol
OPENEYE Name: 3,4,5,6-tetrafluorobenzene-1,2-diol
IUPAC Name: 3,4,5,6-tetrafluorobenzene-1,2-diol
SYSTEMATIC NAME: 3,4,5,6-tetrakis(fluoranyl)benzene-1,2-diol
MOLECULAR FORMULA: C6H2F4O2
MOLECULAR WEIGHT: 182.072493
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)O)O
Structure:
CAS RN: 351003-42-4
CAS Name: 2-bromo-4,6-difluorobenzenesulfonyl chloride
OPENEYE Name: 2-bromo-4,6-difluoro-benzenesulfonyl chloride
IUPAC Name: 2-bromo-4,6-difluorobenzenesulfonyl chloride
SYSTEMATIC NAME: 2-bromanyl-4,6-bis(fluoranyl)benzenesulfonyl chloride
MOLECULAR FORMULA: C6H2BrClF2O2S
MOLECULAR WEIGHT: 291.497686
SMILES: C1=C(C=C(C(=C1F)S(=O)(=O)Cl)Br)F
Structure:
CAS RN: 141337-26-0
CAS Name: 4-chloro-2-fluorobenzenesulfonyl chloride
OPENEYE Name: 4-chloro-2-fluoro-benzenesulfonyl chloride
IUPAC Name: 4-chloro-2-fluorobenzenesulfonyl chloride
SYSTEMATIC NAME: 4-chloranyl-2-fluoranyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C6H3Cl2FO2S
MOLECULAR WEIGHT: 229.056223
SMILES: C1=CC(=C(C=C1Cl)F)S(=O)(=O)Cl
Structure:
CAS RN: 351003-43-5
CAS Name: 3,4,5-trifluorobenzenesulfonyl chloride
OPENEYE Name: 3,4,5-trifluorobenzenesulfonyl chloride
IUPAC Name: 3,4,5-trifluorobenzenesulfonyl chloride
SYSTEMATIC NAME: 3,4,5-tris(fluoranyl)benzenesulfonyl chloride
MOLECULAR FORMULA: C6H2ClF3O2S
MOLECULAR WEIGHT: 230.59209
SMILES: C1=C(C=C(C(=C1F)F)F)S(=O)(=O)Cl
Structure:
CAS RN: 261763-22-8
CAS Name: 1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene
OPENEYE Name: 1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene
IUPAC Name: 1-(bromomethyl)-2-chloro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-(bromomethyl)-2-chloranyl-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H5BrClF3
MOLECULAR WEIGHT: 273.47751
SMILES: C1=CC(=C(C(=C1)C(F)(F)F)Cl)CBr
Structure:
CAS RN: 56860-86-7
CAS Name: 1-[chloro(fluoro)methoxy]-1,1,2,3,3,3-hexafluoropropane
OPENEYE Name: 1-[chloro(fluoro)methoxy]-1,1,2,3,3,3-hexafluoro-propane
IUPAC Name: 1-[chloro(fluoro)methoxy]-1,1,2,3,3,3-hexafluoropropane
SYSTEMATIC NAME: 1-[chloranyl(fluoranyl)methoxy]-1,1,2,3,3,3-hexakis(fluoranyl)propane
MOLECULAR FORMULA: C4H2ClF7O
MOLECULAR WEIGHT: 234.499902
SMILES: C(C(OC(F)Cl)(F)F)(C(F)(F)F)F
Structure:
CAS RN: 56860-82-3
CAS Name: 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
OPENEYE Name: 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-propane
IUPAC Name: 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
SYSTEMATIC NAME: 1-[bis(chloranyl)methoxy]-1,1,2,3,3,3-hexakis(fluoranyl)propane
MOLECULAR FORMULA: C4H2Cl2F6O
MOLECULAR WEIGHT: 250.954499
SMILES: C(C(OC(Cl)Cl)(F)F)(C(F)(F)F)F
Structure:
CAS RN: 507453-83-0
CAS Name: 2-chloro-1,1,1,3,4,4,4-heptafluorobutane
OPENEYE Name: 2-chloro-1,1,1,3,4,4,4-heptafluoro-butane
IUPAC Name: 2-chloro-1,1,1,3,4,4,4-heptafluorobutane
SYSTEMATIC NAME: 2-chloranyl-1,1,1,3,4,4,4-heptakis(fluoranyl)butane
MOLECULAR FORMULA: C4H2ClF7
MOLECULAR WEIGHT: 218.500502
SMILES: C(C(C(F)(F)F)Cl)(C(F)(F)F)F
Structure:
CAS RN: 2250-36-4
CAS Name: 1-[bromo(difluoro)methyl]-4-(difluoromethyl)benzene
OPENEYE Name: 1-[bromo(difluoro)methyl]-4-(difluoromethyl)benzene
IUPAC Name: 1-[bromo(difluoro)methyl]-4-(difluoromethyl)benzene
SYSTEMATIC NAME: 1-[bis(fluoranyl)methyl]-4-[bromanyl-bis(fluoranyl)methyl]benzene
MOLECULAR FORMULA: C8H5BrF4
MOLECULAR WEIGHT: 257.022913
SMILES: C1=CC(=CC=C1C(F)F)C(F)(F)Br
Structure:
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