1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile

C223H186ClF32N3O — CID 157101271

IUPAC1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile
SMILESC/C=C/CCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)c(F)c1.CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.CCOc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.FC(F)(F)[C@@H](Cc1ccc(C=Cc2ccc(Cl)cc2)cc1)c1ccccc1.Fc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.N#Cc1c(F)cc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1F.N#Cc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.N#Cc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1F
InChIInChI=1S/C28H27F3.C26H24F4.C26H25F3.C25H23F3O.C24H16F5N.C24H17F4N.C24H18F3N.C23H18ClF3.C23H18F4/c1-2-3-5-8-22-11-13-23(14-12-22)15-16-24-17-19-25(20-18-24)21-27(28(29,30)31)26-9-6-4-7-10-26;1-2-6-20-14-16-23(25(27)18-20)15-13-19-9-11-21(12-10-19)17-24(26(28,29)30)22-7-4-3-5-8-22;1-2-6-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)19-25(26(27,28)29)24-7-4-3-5-8-24;1-2-29-23-16-14-20(15-17-23)9-8-19-10-12-21(13-11-19)18-24(25(26,27)28)22-6-4-3-5-7-22;25-22-13-18(14-23(26)20(22)15-30)11-8-16-6-9-17(10-7-16)12-21(24(27,28)29)19-4-2-1-3-5-19;25-23-15-19(12-13-21(23)16-29)11-8-17-6-9-18(10-7-17)14-22(24(26,27)28)20-4-2-1-3-5-20;25-24(26,27)23(22-4-2-1-3-5-22)16-20-12-8-18(9-13-20)6-7-19-10-14-21(17-28)15-11-19;2*24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25,26)27)20-4-2-1-3-5-20/h2-4,6-7,9-20,27H,5,8,21H2,1H3;3-5,7-16,18,24H,2,6,17H2,1H3;3-5,7-18,25H,2,6,19H2,1H3;3-17,24H,2,18H2,1H3;1-11,13-14,21H,12H2;1-13,15,22H,14H2;1-15,23H,16H2;2*1-15,22H,16H2/b3-2+,16-15?;;;;;;;;/t27-;24-;25-;24-;21-;22-;23-;2*22-/m000000000/s1
InChIKeyAFUDABRGECJPET-SWDGDXIBSA-N
MW3567.35 g/mol
LogP65.49
Rot. Bonds54

About 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile

1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile (PubChem CID 157101271) has the molecular formula C223H186ClF32N3O and a molecular weight of 3567.35 g/mol. Its IUPAC name is 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile
PubChem CID157101271
Molecular FormulaC223H186ClF32N3O
Molecular Weight3567.35 g/mol
Exact Mass3564.38
IUPAC Name1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile
SMILESC/C=C/CCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)c(F)c1.CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.CCOc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.FC(F)(F)[C@@H](Cc1ccc(C=Cc2ccc(Cl)cc2)cc1)c1ccccc1.Fc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.N#Cc1c(F)cc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1F.N#Cc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.N#Cc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1F
InChIInChI=1S/C28H27F3.C26H24F4.C26H25F3.C25H23F3O.C24H16F5N.C24H17F4N.C24H18F3N.C23H18ClF3.C23H18F4/c1-2-3-5-8-22-11-13-23(14-12-22)15-16-24-17-19-25(20-18-24)21-27(28(29,30)31)26-9-6-4-7-10-26;1-2-6-20-14-16-23(25(27)18-20)15-13-19-9-11-21(12-10-19)17-24(26(28,29)30)22-7-4-3-5-8-22;1-2-6-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)19-25(26(27,28)29)24-7-4-3-5-8-24;1-2-29-23-16-14-20(15-17-23)9-8-19-10-12-21(13-11-19)18-24(25(26,27)28)22-6-4-3-5-7-22;25-22-13-18(14-23(26)20(22)15-30)11-8-16-6-9-17(10-7-16)12-21(24(27,28)29)19-4-2-1-3-5-19;25-23-15-19(12-13-21(23)16-29)11-8-17-6-9-18(10-7-17)14-22(24(26,27)28)20-4-2-1-3-5-20;25-24(26,27)23(22-4-2-1-3-5-22)16-20-12-8-18(9-13-20)6-7-19-10-14-21(17-28)15-11-19;2*24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25,26)27)20-4-2-1-3-5-20/h2-4,6-7,9-20,27H,5,8,21H2,1H3;3-5,7-16,18,24H,2,6,17H2,1H3;3-5,7-18,25H,2,6,19H2,1H3;3-17,24H,2,18H2,1H3;1-11,13-14,21H,12H2;1-13,15,22H,14H2;1-15,23H,16H2;2*1-15,22H,16H2/b3-2+,16-15?;;;;;;;;/t27-;24-;25-;24-;21-;22-;23-;2*22-/m000000000/s1
InChIKeyAFUDABRGECJPET-SWDGDXIBSA-N
XLogP65.49
TPSA80.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds54
Heavy Atoms260
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003567.35
LogP ≤ 565.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile (CID 157101271) is 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile is C/C=C/CCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)c(F)c1.CCCc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.CCOc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.FC(F)(F)[C@@H](Cc1ccc(C=Cc2ccc(Cl)cc2)cc1)c1ccccc1.Fc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.N#Cc1c(F)cc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1F.N#Cc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1.N#Cc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)(F)F)cc2)cc1F.
What is the InChIKey of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
The InChIKey is AFUDABRGECJPET-SWDGDXIBSA-N. The full InChI is InChI=1S/C28H27F3.C26H24F4.C26H25F3.C25H23F3O.C24H16F5N.C24H17F4N.C24H18F3N.C23H18ClF3.C23H18F4/c1-2-3-5-8-22-11-13-23(14-12-22)15-16-24-17-19-25(20-18-24)21-27(28(29,30)31)26-9-6-4-7-10-26;1-2-6-20-14-16-23(25(27)18-20)15-13-19-9-11-21(12-10-19)17-24(26(28,29)30)22-7-4-3-5-8-22;1-2-6-20-9-11-21(12-10-20)13-14-22-15-17-23(18-16-22)19-25(26(27,28)29)24-7-4-3-5-8-24;1-2-29-23-16-14-20(15-17-23)9-8-19-10-12-21(13-11-19)18-24(25(26,27)28)22-6-4-3-5-7-22;25-22-13-18(14-23(26)20(22)15-30)11-8-16-6-9-17(10-7-16)12-21(24(27,28)29)19-4-2-1-3-5-19;25-23-15-19(12-13-21(23)16-29)11-8-17-6-9-18(10-7-17)14-22(24(26,27)28)20-4-2-1-3-5-20;25-24(26,27)23(22-4-2-1-3-5-22)16-20-12-8-18(9-13-20)6-7-19-10-14-21(17-28)15-11-19;2*24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25,26)27)20-4-2-1-3-5-20/h2-4,6-7,9-20,27H,5,8,21H2,1H3;3-5,7-16,18,24H,2,6,17H2,1H3;3-5,7-18,25H,2,6,19H2,1H3;3-17,24H,2,18H2,1H3;1-11,13-14,21H,12H2;1-13,15,22H,14H2;1-15,23H,16H2;2*1-15,22H,16H2/b3-2+,16-15?;;;;;;;;/t27-;24-;25-;24-;21-;22-;23-;2*22-/m000000000/s1.
What are the key properties of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile has a molecular weight of 3567.35 g/mol, XLogP of 65.49, 54 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2,6-difluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-ethoxy-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile;1-[(E)-pent-3-enyl]-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene;4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 157101271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).