4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene

C215H188Cl2F20O2 — CID 162193697

IUPAC4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
SMILESC/C=C/CCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)c(F)c2)cc1.C/C=C/CCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.CCCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.CCOc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)c(F)c2)cc1.CCOc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.Fc1cc(C[C@H](F)c2ccccc2)ccc1C=Cc1ccc(Cl)cc1.Fc1cc(Cl)ccc1C=Cc1ccc(C[C@H](F)c2ccccc2)cc1.Fc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2)c(F)c1.Fc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1
InChIInChI=1S/2C27H26F2.C25H24F2.2C24H22F2O.2C22H17ClF2.2C22H17F3/c1-2-3-5-8-21-11-13-22(14-12-21)15-17-25-18-16-23(20-27(25)29)19-26(28)24-9-6-4-7-10-24;1-2-3-5-8-21-11-13-22(14-12-21)15-16-23-17-18-25(26(28)19-23)20-27(29)24-9-6-4-7-10-24;1-2-6-19-9-11-20(12-10-19)13-15-23-16-14-21(18-25(23)27)17-24(26)22-7-4-3-5-8-22;1-2-27-22-14-10-18(11-15-22)8-12-21-13-9-19(17-24(21)26)16-23(25)20-6-4-3-5-7-20;1-2-27-22-14-11-18(12-15-22)8-9-19-10-13-21(23(25)16-19)17-24(26)20-6-4-3-5-7-20;23-20-12-8-16(9-13-20)6-10-19-11-7-17(15-22(19)25)14-21(24)18-4-2-1-3-5-18;23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18;23-20-12-8-16(9-13-20)6-10-19-11-7-17(15-22(19)25)14-21(24)18-4-2-1-3-5-18;23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18/h2-4,6-7,9-18,20,26H,5,8,19H2,1H3;2-4,6-7,9-19,27H,5,8,20H2,1H3;3-5,7-16,18,24H,2,6,17H2,1H3;3-15,17,23H,2,16H2,1H3;3-16,24H,2,17H2,1H3;4*1-13,15,21H,14H2/b3-2+,17-15?;3-2+,16-15?;;;;;;;/t26-;27-;24-;23-;24-;4*21-/m000000000/s1
InChIKeyZQQUHAOOWJNURR-WQBBCCIWSA-N
MW3254.73 g/mol
LogP62.60
Rot. Bonds57

About 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene

4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene (PubChem CID 162193697) has the molecular formula C215H188Cl2F20O2 and a molecular weight of 3254.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
PubChem CID162193697
Molecular FormulaC215H188Cl2F20O2
Molecular Weight3254.73 g/mol
Exact Mass3251.37
IUPAC Name4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
SMILESC/C=C/CCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)c(F)c2)cc1.C/C=C/CCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.CCCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.CCOc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)c(F)c2)cc1.CCOc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.Fc1cc(C[C@H](F)c2ccccc2)ccc1C=Cc1ccc(Cl)cc1.Fc1cc(Cl)ccc1C=Cc1ccc(C[C@H](F)c2ccccc2)cc1.Fc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2)c(F)c1.Fc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1
InChIInChI=1S/2C27H26F2.C25H24F2.2C24H22F2O.2C22H17ClF2.2C22H17F3/c1-2-3-5-8-21-11-13-22(14-12-21)15-17-25-18-16-23(20-27(25)29)19-26(28)24-9-6-4-7-10-24;1-2-3-5-8-21-11-13-22(14-12-21)15-16-23-17-18-25(26(28)19-23)20-27(29)24-9-6-4-7-10-24;1-2-6-19-9-11-20(12-10-19)13-15-23-16-14-21(18-25(23)27)17-24(26)22-7-4-3-5-8-22;1-2-27-22-14-10-18(11-15-22)8-12-21-13-9-19(17-24(21)26)16-23(25)20-6-4-3-5-7-20;1-2-27-22-14-11-18(12-15-22)8-9-19-10-13-21(23(25)16-19)17-24(26)20-6-4-3-5-7-20;23-20-12-8-16(9-13-20)6-10-19-11-7-17(15-22(19)25)14-21(24)18-4-2-1-3-5-18;23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18;23-20-12-8-16(9-13-20)6-10-19-11-7-17(15-22(19)25)14-21(24)18-4-2-1-3-5-18;23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18/h2-4,6-7,9-18,20,26H,5,8,19H2,1H3;2-4,6-7,9-19,27H,5,8,20H2,1H3;3-5,7-16,18,24H,2,6,17H2,1H3;3-15,17,23H,2,16H2,1H3;3-16,24H,2,17H2,1H3;4*1-13,15,21H,14H2/b3-2+,17-15?;3-2+,16-15?;;;;;;;/t26-;27-;24-;23-;24-;4*21-/m000000000/s1
InChIKeyZQQUHAOOWJNURR-WQBBCCIWSA-N
XLogP62.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds57
Heavy Atoms239
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003254.73
LogP ≤ 562.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene with MolForge

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Related Compounds

2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-pent-3-enylphenyl)ethenyl]benzene
CID 91484905
1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene
CID 58698898
1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]benzene;4-[2-[2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzonitrile;2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
CID 159895085
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
2-[2-(4-chlorophenyl)ethenyl]-1,3-difluoro-5-[(2R)-2-phenylpropyl]benzene;5-[2-(4-chlorophenyl)ethenyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-5-[2-(4-fluorophenyl)ethenyl]-2-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-5-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-5-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-2-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-(4-propylphenyl)ethenyl]benzene;1,3-difluoro-5-[(2R)-2-phenylpropyl]-2-[2-(4-propylphenyl)ethenyl]benzene;2-[2-(4-ethoxyphenyl)ethenyl]-1,3-difluoro-5-[(2R)-2-phenylpropyl]benzene;5-[2-(4-ethoxyphenyl)ethenyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
CID 159682635
2-fluoro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814
2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
CID 58698955
2-fluoro-1-[2-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[(2S)-2-phenylpropyl]benzene
CID 58698929
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 91188184
2-fluoro-1-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58699470
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene (CID 162193697) is 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene is C/C=C/CCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)c(F)c2)cc1.C/C=C/CCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.CCCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.CCOc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)c(F)c2)cc1.CCOc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.Fc1cc(C[C@H](F)c2ccccc2)ccc1C=Cc1ccc(Cl)cc1.Fc1cc(Cl)ccc1C=Cc1ccc(C[C@H](F)c2ccccc2)cc1.Fc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2)c(F)c1.Fc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?
The InChIKey is ZQQUHAOOWJNURR-WQBBCCIWSA-N. The full InChI is InChI=1S/2C27H26F2.C25H24F2.2C24H22F2O.2C22H17ClF2.2C22H17F3/c1-2-3-5-8-21-11-13-22(14-12-21)15-17-25-18-16-23(20-27(25)29)19-26(28)24-9-6-4-7-10-24;1-2-3-5-8-21-11-13-22(14-12-21)15-16-23-17-18-25(26(28)19-23)20-27(29)24-9-6-4-7-10-24;1-2-6-19-9-11-20(12-10-19)13-15-23-16-14-21(18-25(23)27)17-24(26)22-7-4-3-5-8-22;1-2-27-22-14-10-18(11-15-22)8-12-21-13-9-19(17-24(21)26)16-23(25)20-6-4-3-5-7-20;1-2-27-22-14-11-18(12-15-22)8-9-19-10-13-21(23(25)16-19)17-24(26)20-6-4-3-5-7-20;23-20-12-8-16(9-13-20)6-10-19-11-7-17(15-22(19)25)14-21(24)18-4-2-1-3-5-18;23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18;23-20-12-8-16(9-13-20)6-10-19-11-7-17(15-22(19)25)14-21(24)18-4-2-1-3-5-18;23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18/h2-4,6-7,9-18,20,26H,5,8,19H2,1H3;2-4,6-7,9-19,27H,5,8,20H2,1H3;3-5,7-16,18,24H,2,6,17H2,1H3;3-15,17,23H,2,16H2,1H3;3-16,24H,2,17H2,1H3;4*1-13,15,21H,14H2/b3-2+,17-15?;3-2+,16-15?;;;;;;;/t26-;27-;24-;23-;24-;4*21-/m000000000/s1.
What are the key properties of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene?
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene has a molecular weight of 3254.73 g/mol, XLogP of 62.60, 57 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene is sourced from PubChem (CID 162193697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).