Tuesday, September 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H10ClF
MOLECULAR WEIGHT: 196.648503
SMILES: C1[C@@H]([C@@H]2C([C@H]1C3=CC=CC=C23)Cl)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H10F2
MOLECULAR WEIGHT: 180.193906
SMILES: C1[C@@H]([C@@H]2C([C@H]1C3=CC=CC=C23)F)F
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Product OPENEYE NAME: [(1S,2R)-1,2-difluorocyclopentyl]benzene
CAS Name: [(1S,2R)-1,2-difluorocyclopentyl]benzene
IUPAC NAME: [(1S,2R)-1,2-difluorocyclopentyl]benzene
SYSTEMATIC NAME: [(1S,2R)-1,2-bis(fluoranyl)cyclopentyl]benzene
MOLECULAR FORMULA: C11H12F2
MOLECULAR WEIGHT: 182.209786
SMILES: C1C[C@H]([C@](C1)(C2=CC=CC=C2)F)F
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Product OPENEYE NAME: [(1S,2S)-1,2-difluorocyclopentyl]benzene
CAS Name: [(1S,2S)-1,2-difluorocyclopentyl]benzene
IUPAC NAME: [(1S,2S)-1,2-difluorocyclopentyl]benzene
SYSTEMATIC NAME: [(1S,2S)-1,2-bis(fluoranyl)cyclopentyl]benzene
MOLECULAR FORMULA: C11H12F2
MOLECULAR WEIGHT: 182.209786
SMILES: C1C[C@@H]([C@](C1)(C2=CC=CC=C2)F)F
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Product OPENEYE NAME: 1,1,2,3,4,4,5,6,8-nonafluoro-7-methoxy-naphthalene
CAS Name: 1,1,2,3,4,4,5,6,8-nonafluoro-7-methoxynaphthalene
IUPAC NAME: 1,1,2,3,4,4,5,6,8-nonafluoro-7-methoxynaphthalene
SYSTEMATIC NAME: 1,1,2,3,4,4,5,6,8-nonakis(fluoranyl)-7-methoxy-naphthalene
MOLECULAR FORMULA: C11H3F9O
MOLECULAR WEIGHT: 322.126549
SMILES: COC1=C(C2=C(C(=C1F)F)C(C(=C(C2(F)F)F)F)(F)F)F
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Product OPENEYE NAME: 1,3-difluoro-5,7-dimethyl-adamantane
CAS Name: 1,3-difluoro-5,7-dimethyladamantane
IUPAC NAME: 1,3-difluoro-5,7-dimethyladamantane
SYSTEMATIC NAME: 1,3-bis(fluoranyl)-5,7-dimethyl-adamantane
MOLECULAR FORMULA: C12H18F2
MOLECULAR WEIGHT: 200.268126
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)F)F)C
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Product OPENEYE NAME: (3R)-2,2-dichloro-1,1,6-trifluoro-5-phenyl-spiro[2.3]hex-5-ene
CAS Name: (3R)-2,2-dichloro-1,1,6-trifluoro-5-phenylspiro[2.3]hex-5-ene
IUPAC NAME: (3R)-2,2-dichloro-1,1,6-trifluoro-5-phenylspiro[2.3]hex-5-ene
SYSTEMATIC NAME: (3R)-2,2-bis(chloranyl)-1,1,6-tris(fluoranyl)-5-phenyl-spiro[2.3]hex-5-ene
MOLECULAR FORMULA: C12H7Cl2F3
MOLECULAR WEIGHT: 279.08519
SMILES: C1C(=C([C@@]12C(C2(Cl)Cl)(F)F)F)C3=CC=CC=C3
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Product OPENEYE NAME: N,4-dichloro-2,3,5,6-tetrafluoro-4-phenyl-cyclohexa-2,5-dien-1-imine
CAS Name: N,4-dichloro-2,3,5,6-tetrafluoro-4-phenyl-1-cyclohexa-2,5-dienimine
IUPAC NAME: N,4-dichloro-2,3,5,6-tetrafluoro-4-phenylcyclohexa-2,5-dien-1-imine
SYSTEMATIC NAME: N,4-bis(chloranyl)-2,3,5,6-tetrakis(fluoranyl)-4-phenyl-cyclohexa-2,5-dien-1-imine
MOLECULAR FORMULA: C12H5Cl2F4N
MOLECULAR WEIGHT: 310.074413
SMILES: C1=CC=C(C=C1)C2(C(=C(C(=NCl)C(=C2F)F)F)F)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10F6
MOLECULAR WEIGHT: 268.198219
SMILES: C1CC[C@H]2[C@@H](C1)[C@@]3(C(=C(C4([C@@]3(C24F)F)F)F)F)F
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Product OPENEYE NAME: 2,3,4,5,6-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)cyclohexa-2,4-dien-1-one
CAS Name: 2,3,4,5,6-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)-1-cyclohexa-2,4-dienone
IUPAC NAME: 2,3,4,5,6-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)-6-[2,3,4,5,6-pentakis(fluoranyl)phenyl]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C12F10O
MOLECULAR WEIGHT: 350.111832
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C2(C(=C(C(=C(C2=O)F)F)F)F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12F12
MOLECULAR WEIGHT: 372.109238
SMILES: C12=C(C(=C(C(=C1F)F)F)F)C3(C(=C(C2(C(C3(F)F)(F)F)F)F)F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12F14
MOLECULAR WEIGHT: 410.106045
SMILES: C12=C(C(=C(C(=C1F)F)F)F)C3(C(C(C2(C(C3(F)F)(F)F)F)(F)F)(F)F)F
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Product OPENEYE NAME: 1,2,3,3,4,4,5,5,6-nonafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexene
CAS Name: 1,2,3,3,4,4,5,5,6-nonafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluoro-1-cyclohex-2-enyl)cyclohexene
IUPAC NAME: 1,2,3,3,4,4,5,5,6-nonafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexene
SYSTEMATIC NAME: 1,2,3,3,4,4,5,5,6-nonakis(fluoranyl)-6-[1,2,3,4,4,5,5,6,6-nonakis(fluoranyl)cyclohex-2-en-1-yl]cyclohexene
MOLECULAR FORMULA: C12F18
MOLECULAR WEIGHT: 486.099658
SMILES: C1(=C(C(C(C(C1(C2(C(=C(C(C(C2(F)F)(F)F)(F)F)F)F)F)F)(F)F)(F)F)(F)F)F)F
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Product OPENEYE NAME: 1,2,3,3,4,4,5,5,6-nonafluoro-6-(1,2,2,3,4,5,5,6,6-nonafluorocyclohex-3-en-1-yl)cyclohexene
CAS Name: 1,2,3,3,4,4,5,5,6-nonafluoro-6-(1,2,2,3,4,5,5,6,6-nonafluoro-1-cyclohex-3-enyl)cyclohexene
IUPAC NAME: 1,2,3,3,4,4,5,5,6-nonafluoro-6-(1,2,2,3,4,5,5,6,6-nonafluorocyclohex-3-en-1-yl)cyclohexene
SYSTEMATIC NAME: 1,2,3,3,4,4,5,5,6-nonakis(fluoranyl)-6-[1,2,2,3,4,5,5,6,6-nonakis(fluoranyl)cyclohex-3-en-1-yl]cyclohexene
MOLECULAR FORMULA: C12F18
MOLECULAR WEIGHT: 486.099658
SMILES: C1(=C(C(C(C(C1(C2(C(C(=C(C(C2(F)F)(F)F)F)F)(F)F)F)F)(F)F)(F)F)(F)F)F)F
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Product OPENEYE NAME: 3-fluoro-4,4,6,6,7,7-hexamethyl-bicyclo[3.2.0]heptan-2-one
CAS Name: 3-fluoro-4,4,6,6,7,7-hexamethyl-2-bicyclo[3.2.0]heptanone
IUPAC NAME: 3-fluoro-4,4,6,6,7,7-hexamethylbicyclo[3.2.0]heptan-2-one
SYSTEMATIC NAME: 3-fluoranyl-4,4,6,6,7,7-hexamethyl-bicyclo[3.2.0]heptan-2-one
MOLECULAR FORMULA: C13H21FO
MOLECULAR WEIGHT: 212.303643
SMILES: CC1(C2C(C1(C)C)C(C(C2=O)F)(C)C)C
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Product OPENEYE NAME: (1S,2R)-1,2-difluoro-1-phenyl-cycloheptane
CAS Name: (1S,2R)-1,2-difluoro-1-phenylcycloheptane
IUPAC NAME: (1S,2R)-1,2-difluoro-1-phenylcycloheptane
SYSTEMATIC NAME: (1S,2R)-1,2-bis(fluoranyl)-1-phenyl-cycloheptane
MOLECULAR FORMULA: C13H16F2
MOLECULAR WEIGHT: 210.262946
SMILES: C1CC[C@H]([C@](CC1)(C2=CC=CC=C2)F)F
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Product OPENEYE NAME: (1S,2S)-1,2-difluoro-1-phenyl-cycloheptane
CAS Name: (1S,2S)-1,2-difluoro-1-phenylcycloheptane
IUPAC NAME: (1S,2S)-1,2-difluoro-1-phenylcycloheptane
SYSTEMATIC NAME: (1S,2S)-1,2-bis(fluoranyl)-1-phenyl-cycloheptane
MOLECULAR FORMULA: C13H16F2
MOLECULAR WEIGHT: 210.262946
SMILES: C1CC[C@@H]([C@](CC1)(C2=CC=CC=C2)F)F
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Product OPENEYE NAME: 1,2,3,4,5,6,7,8,9,9-decafluorofluorene
CAS Name: 1,2,3,4,5,6,7,8,9,9-decafluorofluorene
IUPAC NAME: 1,2,3,4,5,6,7,8,9,9-decafluorofluorene
SYSTEMATIC NAME: 1,2,3,4,5,6,7,8,9,9-decakis(fluoranyl)fluorene
MOLECULAR FORMULA: C13F10
MOLECULAR WEIGHT: 346.123132
SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(C3=C2C(=C(C(=C3F)F)F)F)(F)F
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Product OPENEYE NAME: 9,10,10-trifluoro-9H-phenanthrene
CAS Name: 9,10,10-trifluoro-9H-phenanthrene
IUPAC NAME: 9,10,10-trifluoro-9H-phenanthrene
SYSTEMATIC NAME: 9,10,10-tris(fluoranyl)-9H-phenanthrene
MOLECULAR FORMULA: C14H9F3
MOLECULAR WEIGHT: 234.21647
SMILES: C1=CC=C2C(=C1)C(C(C3=CC=CC=C23)(F)F)F
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