1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene

C226H249F33O8S — CID 159746130

IUPAC1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene
SMILESC=CCCCc1ccc(C2C=CC(c3ccc(C)cc3F)CC2)c(F)c1F.C=CCCc1ccc(C2C=CC(c3ccc(CCC=C)c(F)c3F)CC2)c(F)c1F.CCCCCc1ccc(C2C=CC(CCc3ccc(OCC)c(F)c3F)CC2)cc1.CCCCCc1ccc(C2C=CC(COc3ccc(OCC)c(F)c3F)CC2)cc1.CCCCCc1ccc(C2C=CC(c3ccc(OCC)c(C(F)F)c3F)CC2)c(F)c1F.CCCCCc1ccc(C2C=CC(c3ccc(SCC)c(F)c3F)CC2)c(F)c1F.CCCc1ccc(C2C=CC(COc3ccc(OCC)c(F)c3F)CC2)cc1.CCCc1ccc(C2C=CC(c3ccc(OCC)c(C(F)(F)F)c3F)CC2)c(F)c1F.CCOc1ccc(C2C=CC(c3ccc(CCC=C(F)F)cc3F)CC2)c(F)c1F
InChIInChI=1S/C27H34F2O.C26H29F5O.C26H26F4.C26H32F2O2.C25H28F4S.C24H24F6O.C24H23F5O.C24H25F3.C24H28F2O2/c1-3-5-6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-7-18-12-13-20(25(29)23(18)27)17-10-8-16(9-11-17)19-14-15-21(32-4-2)22(24(19)28)26(30)31;1-3-5-7-19-13-15-21(25(29)23(19)27)17-9-11-18(12-10-17)22-16-14-20(8-6-4-2)24(28)26(22)30;1-3-5-6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-30-24-17-16-23(29-4-2)25(27)26(24)28;1-3-5-6-7-18-12-13-19(23(27)22(18)26)16-8-10-17(11-9-16)20-14-15-21(30-4-2)25(29)24(20)28;1-3-5-16-10-11-18(23(27)21(16)25)15-8-6-14(7-9-15)17-12-13-19(31-4-2)20(22(17)26)24(28,29)30;1-2-30-21-13-12-19(23(28)24(21)29)17-9-7-16(8-10-17)18-11-6-15(14-20(18)25)4-3-5-22(26)27;1-3-4-5-6-19-12-14-21(24(27)23(19)26)18-10-8-17(9-11-18)20-13-7-16(2)15-22(20)25;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h8-10,13-15,18-19,21,23H,3-7,11-12,16-17H2,1-2H3;8,10,12-17,26H,3-7,9,11H2,1-2H3;3-4,9,11,13-18H,1-2,5-8,10,12H2;8-10,12-14,16-17,20,22H,3-7,11,15,18H2,1-2H3;8,10,12-17H,3-7,9,11H2,1-2H3;6,8,10-15H,3-5,7,9H2,1-2H3;5-7,9,11-14,16-17H,2-4,8,10H2,1H3;3,7-8,10,12-15,17-18H,1,4-6,9,11H2,2H3;6-8,10-12,14-15,18,20H,3-5,9,13,16H2,1-2H3
InChIKeyNDBJUBPAWZUPRF-UHFFFAOYSA-N
MW3752.47 g/mol
LogP68.10
Rot. Bonds72

About 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene

1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene (PubChem CID 159746130) has the molecular formula C226H249F33O8S and a molecular weight of 3752.47 g/mol. Its IUPAC name is 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene.

Molecular Properties

Compound Name1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene
PubChem CID159746130
Molecular FormulaC226H249F33O8S
Molecular Weight3752.47 g/mol
Exact Mass3749.83
IUPAC Name1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene
SMILESC=CCCCc1ccc(C2C=CC(c3ccc(C)cc3F)CC2)c(F)c1F.C=CCCc1ccc(C2C=CC(c3ccc(CCC=C)c(F)c3F)CC2)c(F)c1F.CCCCCc1ccc(C2C=CC(CCc3ccc(OCC)c(F)c3F)CC2)cc1.CCCCCc1ccc(C2C=CC(COc3ccc(OCC)c(F)c3F)CC2)cc1.CCCCCc1ccc(C2C=CC(c3ccc(OCC)c(C(F)F)c3F)CC2)c(F)c1F.CCCCCc1ccc(C2C=CC(c3ccc(SCC)c(F)c3F)CC2)c(F)c1F.CCCc1ccc(C2C=CC(COc3ccc(OCC)c(F)c3F)CC2)cc1.CCCc1ccc(C2C=CC(c3ccc(OCC)c(C(F)(F)F)c3F)CC2)c(F)c1F.CCOc1ccc(C2C=CC(c3ccc(CCC=C(F)F)cc3F)CC2)c(F)c1F
InChIInChI=1S/C27H34F2O.C26H29F5O.C26H26F4.C26H32F2O2.C25H28F4S.C24H24F6O.C24H23F5O.C24H25F3.C24H28F2O2/c1-3-5-6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-7-18-12-13-20(25(29)23(18)27)17-10-8-16(9-11-17)19-14-15-21(32-4-2)22(24(19)28)26(30)31;1-3-5-7-19-13-15-21(25(29)23(19)27)17-9-11-18(12-10-17)22-16-14-20(8-6-4-2)24(28)26(22)30;1-3-5-6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-30-24-17-16-23(29-4-2)25(27)26(24)28;1-3-5-6-7-18-12-13-19(23(27)22(18)26)16-8-10-17(11-9-16)20-14-15-21(30-4-2)25(29)24(20)28;1-3-5-16-10-11-18(23(27)21(16)25)15-8-6-14(7-9-15)17-12-13-19(31-4-2)20(22(17)26)24(28,29)30;1-2-30-21-13-12-19(23(28)24(21)29)17-9-7-16(8-10-17)18-11-6-15(14-20(18)25)4-3-5-22(26)27;1-3-4-5-6-19-12-14-21(24(27)23(19)26)18-10-8-17(9-11-18)20-13-7-16(2)15-22(20)25;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h8-10,13-15,18-19,21,23H,3-7,11-12,16-17H2,1-2H3;8,10,12-17,26H,3-7,9,11H2,1-2H3;3-4,9,11,13-18H,1-2,5-8,10,12H2;8-10,12-14,16-17,20,22H,3-7,11,15,18H2,1-2H3;8,10,12-17H,3-7,9,11H2,1-2H3;6,8,10-15H,3-5,7,9H2,1-2H3;5-7,9,11-14,16-17H,2-4,8,10H2,1H3;3,7-8,10,12-15,17-18H,1,4-6,9,11H2,2H3;6-8,10-12,14-15,18,20H,3-5,9,13,16H2,1-2H3
InChIKeyNDBJUBPAWZUPRF-UHFFFAOYSA-N
XLogP68.10
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds72
Heavy Atoms268
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003752.47
LogP ≤ 568.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene?
The IUPAC name of 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene (CID 159746130) is 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene.
What is the SMILES notation for 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene?
The canonical SMILES for 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene is C=CCCCc1ccc(C2C=CC(c3ccc(C)cc3F)CC2)c(F)c1F.C=CCCc1ccc(C2C=CC(c3ccc(CCC=C)c(F)c3F)CC2)c(F)c1F.CCCCCc1ccc(C2C=CC(CCc3ccc(OCC)c(F)c3F)CC2)cc1.CCCCCc1ccc(C2C=CC(COc3ccc(OCC)c(F)c3F)CC2)cc1.CCCCCc1ccc(C2C=CC(c3ccc(OCC)c(C(F)F)c3F)CC2)c(F)c1F.CCCCCc1ccc(C2C=CC(c3ccc(SCC)c(F)c3F)CC2)c(F)c1F.CCCc1ccc(C2C=CC(COc3ccc(OCC)c(F)c3F)CC2)cc1.CCCc1ccc(C2C=CC(c3ccc(OCC)c(C(F)(F)F)c3F)CC2)c(F)c1F.CCOc1ccc(C2C=CC(c3ccc(CCC=C(F)F)cc3F)CC2)c(F)c1F.
What is the InChIKey of 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene?
The InChIKey is NDBJUBPAWZUPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2O.C26H29F5O.C26H26F4.C26H32F2O2.C25H28F4S.C24H24F6O.C24H23F5O.C24H25F3.C24H28F2O2/c1-3-5-6-7-20-8-13-22(14-9-20)23-15-10-21(11-16-23)12-17-24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-7-18-12-13-20(25(29)23(18)27)17-10-8-16(9-11-17)19-14-15-21(32-4-2)22(24(19)28)26(30)31;1-3-5-7-19-13-15-21(25(29)23(19)27)17-9-11-18(12-10-17)22-16-14-20(8-6-4-2)24(28)26(22)30;1-3-5-6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-30-24-17-16-23(29-4-2)25(27)26(24)28;1-3-5-6-7-18-12-13-19(23(27)22(18)26)16-8-10-17(11-9-16)20-14-15-21(30-4-2)25(29)24(20)28;1-3-5-16-10-11-18(23(27)21(16)25)15-8-6-14(7-9-15)17-12-13-19(31-4-2)20(22(17)26)24(28,29)30;1-2-30-21-13-12-19(23(28)24(21)29)17-9-7-16(8-10-17)18-11-6-15(14-20(18)25)4-3-5-22(26)27;1-3-4-5-6-19-12-14-21(24(27)23(19)26)18-10-8-17(9-11-18)20-13-7-16(2)15-22(20)25;1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h8-10,13-15,18-19,21,23H,3-7,11-12,16-17H2,1-2H3;8,10,12-17,26H,3-7,9,11H2,1-2H3;3-4,9,11,13-18H,1-2,5-8,10,12H2;8-10,12-14,16-17,20,22H,3-7,11,15,18H2,1-2H3;8,10,12-17H,3-7,9,11H2,1-2H3;6,8,10-15H,3-5,7,9H2,1-2H3;5-7,9,11-14,16-17H,2-4,8,10H2,1H3;3,7-8,10,12-15,17-18H,1,4-6,9,11H2,2H3;6-8,10-12,14-15,18,20H,3-5,9,13,16H2,1-2H3.
What are the key properties of 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene?
1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene has a molecular weight of 3752.47 g/mol, XLogP of 68.10, 72 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;1-[4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]cyclohex-2-en-1-yl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-[4-(2-fluoro-4-methylphenyl)cyclohex-2-en-1-yl]-4-pent-4-enylbenzene;1-[4-[3-(difluoromethyl)-4-ethoxy-2-fluorophenyl]cyclohex-2-en-1-yl]-2,3-difluoro-4-pentylbenzene;1-[4-(2,3-difluoro-4-pentylphenyl)cyclohex-2-en-1-yl]-4-ethylsulfanyl-2,3-difluorobenzene;1-[4-(2,3-difluoro-4-propylphenyl)cyclohex-2-en-1-yl]-4-ethoxy-2-fluoro-3-(trifluoromethyl)benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylphenyl)cyclohex-2-en-1-yl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohex-2-en-1-yl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohex-2-en-1-yl]methoxy]benzene is sourced from PubChem (CID 159746130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).