CAS RN: 85187-22-0
CAS Name: 2-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
OPENEYE Name: 2-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
IUPAC Name: 2-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
SYSTEMATIC NAME: 2-[1,1,2,2-tetrakis(fluoranyl)ethoxy]benzaldehyde
MOLECULAR FORMULA: C9H6F4O2
MOLECULAR WEIGHT: 222.136353
SMILES: C1=CC=C(C(=C1)C=O)OC(C(F)F)(F)F
Structure:
CAS RN: 38550-34-4
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-nonane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecakis(fluoranyl)-8-iodanyl-nonane
MOLECULAR FORMULA: C9H6F13I
MOLECULAR WEIGHT: 488.027652
SMILES: CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Structure:
CAS RN: 82191-17-1
CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
IUPAC Name: ethyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate
MOLECULAR FORMULA: C12H13NO3S
MOLECULAR WEIGHT: 251.30152
SMILES: CCOC(=O)CC1C(=O)NC2=CC=CC=C2S1
Structure:
CAS RN: 175202-63-8
CAS Name: 4-ethenyl-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid
OPENEYE Name: 3-methyl-5-methylsulfanyl-4-vinyl-thiophene-2-carboxylic acid
IUPAC Name: 4-ethenyl-3-methyl-5-methylsulfanylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 4-ethenyl-3-methyl-5-methylsulfanyl-thiophene-2-carboxylic acid
MOLECULAR FORMULA: C9H10O2S2
MOLECULAR WEIGHT: 214.3045
SMILES: CC1=C(SC(=C1C=C)SC)C(=O)O
Structure:
CAS RN: 214917-68-7
CAS Name: 2,6-difluoro-4-hydroxybenzoic acid
OPENEYE Name: 2,6-difluoro-4-hydroxy-benzoic acid
IUPAC Name: 2,6-difluoro-4-hydroxybenzoic acid
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4F2O3
MOLECULAR WEIGHT: 174.101666
SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)O
Structure:
CAS RN: 123843-57-2
CAS Name: 2,6-difluoro-4-hydroxybenzonitrile
OPENEYE Name: 2,6-difluoro-4-hydroxy-benzonitrile
IUPAC Name: 2,6-difluoro-4-hydroxybenzonitrile
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3F2NO
MOLECULAR WEIGHT: 155.101626
SMILES: C1=C(C=C(C(=C1F)C#N)F)O
Structure:
CAS RN: 123843-66-3
CAS Name: 2,6-difluoro-4-methoxybenzonitrile
OPENEYE Name: 2,6-difluoro-4-methoxy-benzonitrile
IUPAC Name: 2,6-difluoro-4-methoxybenzonitrile
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-4-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C8H5F2NO
MOLECULAR WEIGHT: 169.128206
SMILES: COC1=CC(=C(C(=C1)F)C#N)F
Structure:
CAS RN: 125369-56-4
CAS Name: 2,6-difluoro-4-methoxybenzoyl chloride
OPENEYE Name: 2,6-difluoro-4-methoxy-benzoyl chloride
IUPAC Name: 2,6-difluoro-4-methoxybenzoyl chloride
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-4-methoxy-benzoyl chloride
MOLECULAR FORMULA: C8H5ClF2O2
MOLECULAR WEIGHT: 206.573906
SMILES: COC1=CC(=C(C(=C1)F)C(=O)Cl)F
Structure:
CAS RN: 163733-99-1
CAS Name: 4-amino-2,3-difluorophenol
OPENEYE Name: 4-amino-2,3-difluoro-phenol
IUPAC Name: 4-amino-2,3-difluorophenol
SYSTEMATIC NAME: 4-azanyl-2,3-bis(fluoranyl)phenol
MOLECULAR FORMULA: C6H5F2NO
MOLECULAR WEIGHT: 145.106806
SMILES: C1=CC(=C(C(=C1N)F)F)O
Structure:
CAS RN: 126058-97-7
CAS Name: 4-amino-2,6-difluorophenol
OPENEYE Name: 4-amino-2,6-difluoro-phenol
IUPAC Name: 4-amino-2,6-difluorophenol
SYSTEMATIC NAME: 4-azanyl-2,6-bis(fluoranyl)phenol
MOLECULAR FORMULA: C6H5F2NO
MOLECULAR WEIGHT: 145.106806
SMILES: C1=C(C=C(C(=C1F)O)F)N
Structure:
CAS RN: 175202-55-8
CAS Name: 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
OPENEYE Name: 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
IUPAC Name: 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
SYSTEMATIC NAME: 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid
MOLECULAR FORMULA: C10H8O4S2
MOLECULAR WEIGHT: 256.29812
SMILES: CC1=C(SC2=C1C(=C(S2)C(=O)O)C)C(=O)O
Structure:
CAS RN: 120103-19-7
CAS Name: 4-amino-2,5-difluorophenol
OPENEYE Name: 4-amino-2,5-difluoro-phenol
IUPAC Name: 4-amino-2,5-difluorophenol
SYSTEMATIC NAME: 4-azanyl-2,5-bis(fluoranyl)phenol
MOLECULAR FORMULA: C6H5F2NO
MOLECULAR WEIGHT: 145.106806
SMILES: C1=C(C(=CC(=C1F)O)F)N
Structure:
CAS RN: 135086-76-9
CAS Name: 4-amino-3,5-difluorophenol
OPENEYE Name: 4-amino-3,5-difluoro-phenol
IUPAC Name: 4-amino-3,5-difluorophenol
SYSTEMATIC NAME: 4-azanyl-3,5-bis(fluoranyl)phenol
MOLECULAR FORMULA: C6H5F2NO
MOLECULAR WEIGHT: 145.106806
SMILES: C1=C(C=C(C(=C1F)N)F)O
Structure:
CAS RN: 199526-97-1
CAS Name: 4,6-difluoro-1H-indole
OPENEYE Name: 4,6-difluoro-1H-indole
IUPAC Name: 4,6-difluoro-1H-indole
SYSTEMATIC NAME: 4,6-bis(fluoranyl)-1H-indole
MOLECULAR FORMULA: C8H5F2N
MOLECULAR WEIGHT: 153.128806
SMILES: C1=CNC2=CC(=CC(=C21)F)F
Structure:
CAS RN: 169674-01-5
CAS Name: 5,6-difluoro-1H-indole
OPENEYE Name: 5,6-difluoro-1H-indole
IUPAC Name: 5,6-difluoro-1H-indole
SYSTEMATIC NAME: 5,6-bis(fluoranyl)-1H-indole
MOLECULAR FORMULA: C8H5F2N
MOLECULAR WEIGHT: 153.128806
SMILES: C1=CNC2=CC(=C(C=C21)F)F
Structure:
CAS RN: 301856-25-7
CAS Name: 5,7-difluoro-1H-indole
OPENEYE Name: 5,7-difluoro-1H-indole
IUPAC Name: 5,7-difluoro-1H-indole
SYSTEMATIC NAME: 5,7-bis(fluoranyl)-1H-indole
MOLECULAR FORMULA: C8H5F2N
MOLECULAR WEIGHT: 153.128806
SMILES: C1=CNC2=C(C=C(C=C21)F)F
Structure:
CAS RN: 399-72-4
CAS Name: 5-fluoro-2-methyl-1H-indole
OPENEYE Name: 5-fluoro-2-methyl-1H-indole
IUPAC Name: 5-fluoro-2-methyl-1H-indole
SYSTEMATIC NAME: 5-fluoranyl-2-methyl-1H-indole
MOLECULAR FORMULA: C9H8FN
MOLECULAR WEIGHT: 149.164923
SMILES: CC1=CC2=C(N1)C=CC(=C2)F
Structure:
CAS RN: 129301-42-4
CAS Name: 2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol
OPENEYE Name: 2-[2-(1,1-difluoro-2-hydroxy-ethoxy)-1,1,2,2-tetrafluoro-ethoxy]-2,2-difluoro-ethanol
IUPAC Name: 2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol
SYSTEMATIC NAME: 2-[2-[1,1-bis(fluoranyl)-2-oxidanyl-ethoxy]-1,1,2,2-tetrakis(fluoranyl)ethoxy]-2,2-bis(fluoranyl)ethanol
MOLECULAR FORMULA: C6H6F8O4
MOLECULAR WEIGHT: 294.096666
SMILES: C(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)O
Structure:
CAS RN: 55621-18-6
CAS Name: 2-[2-[2-[carboxy(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetic acid
OPENEYE Name: 2-[2-[2-[carboxy(difluoro)methoxy]-1,1,2,2-tetrafluoro-ethoxy]-1,1,2,2-tetrafluoro-ethoxy]-2,2-difluoro-acetic acid
IUPAC Name: 2-[2-[2-[carboxy(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetic acid
SYSTEMATIC NAME: 2-[2-[2-[1,1-bis(fluoranyl)-2-oxidanyl-2-oxidanylidene-ethoxy]-1,1,2,2-tetrakis(fluoranyl)ethoxy]-1,1,2,2-tetrakis(fluoranyl)ethoxy]-2,2-bis(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C8H2F12O7
MOLECULAR WEIGHT: 438.078118
SMILES: C(=O)(C(OC(C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structure:
CAS RN: 103962-10-3
CAS Name: 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone
OPENEYE Name: 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone
IUPAC Name: 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone
SYSTEMATIC NAME: 2-bromanyl-1-[4-(trifluoromethyloxy)phenyl]ethanone
MOLECULAR FORMULA: C9H6BrF3O2
MOLECULAR WEIGHT: 283.04195
SMILES: C1=CC(=CC=C1C(=O)CBr)OC(F)(F)F
Structure:
CAS RN: 50904-38-6
CAS Name: 1-bromo-3-(4-fluorophenoxy)benzene
OPENEYE Name: 1-bromo-3-(4-fluorophenoxy)benzene
IUPAC Name: 1-bromo-3-(4-fluorophenoxy)benzene
SYSTEMATIC NAME: 1-bromanyl-3-(4-fluoranylphenoxy)benzene
MOLECULAR FORMULA: C12H8BrFO
MOLECULAR WEIGHT: 267.093723
SMILES: C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)F
Structure:
CAS RN: 175202-23-0
CAS Name: 3-chloro-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid
OPENEYE Name: 3-chloro-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid
IUPAC Name: 3-chloro-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid
MOLECULAR FORMULA: C9H11ClO4S3
MOLECULAR WEIGHT: 314.82924
SMILES: CC(C)S(=O)(=O)C1=C(SC(=C1Cl)C(=O)O)SC
Structure:
CAS RN: 137780-69-9
CAS Name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetic acid
OPENEYE Name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetic acid
IUPAC Name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetic acid
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-2-[1,1,2,2-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butoxy]ethoxy]ethanoic acid
MOLECULAR FORMULA: C8HF15O4
MOLECULAR WEIGHT: 446.067188
SMILES: C(=O)(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structure:
CAS RN: 137504-86-0
CAS Name: (4-chloro-3-fluorophenyl)boronic acid
OPENEYE Name: (4-chloro-3-fluoro-phenyl)boronic acid
IUPAC Name: (4-chloro-3-fluorophenyl)boronic acid
SYSTEMATIC NAME: (4-chloranyl-3-fluoranyl-phenyl)boronic acid
MOLECULAR FORMULA: C6H5BClFO2
MOLECULAR WEIGHT: 174.365103
SMILES: B(C1=CC(=C(C=C1)Cl)F)(O)O
Structure:
CAS RN: 248270-25-9
CAS Name: (3-fluoro-4-formylphenyl)boronic acid
OPENEYE Name: (3-fluoro-4-formyl-phenyl)boronic acid
IUPAC Name: (3-fluoro-4-formylphenyl)boronic acid
SYSTEMATIC NAME: (3-fluoranyl-4-methanoyl-phenyl)boronic acid
MOLECULAR FORMULA: C7H6BFO3
MOLECULAR WEIGHT: 167.930143
SMILES: B(C1=CC(=C(C=C1)C=O)F)(O)O
Structure:
CAS RN: 374538-01-9
CAS Name: (4-fluoro-3-formylphenyl)boronic acid
OPENEYE Name: (4-fluoro-3-formyl-phenyl)boronic acid
IUPAC Name: (4-fluoro-3-formylphenyl)boronic acid
SYSTEMATIC NAME: (4-fluoranyl-3-methanoyl-phenyl)boronic acid
MOLECULAR FORMULA: C7H6BFO3
MOLECULAR WEIGHT: 167.930143
SMILES: B(C1=CC(=C(C=C1)F)C=O)(O)O
Structure:
CAS RN: 175202-00-3
CAS Name: (1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl)hydrazine
OPENEYE Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)hydrazine
IUPAC Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)hydrazine
SYSTEMATIC NAME: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl)diazane
MOLECULAR FORMULA: C9H13N5
MOLECULAR WEIGHT: 191.23302
SMILES: CC1=CC(=NC2=C1C(=NN2C)C)NN
Structure:
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