1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene

C220H303F21O6 — CID 157285857

IUPAC1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene
SMILESC=CC1C=CC(C2CCC(c3ccc(OCCCC)c(F)c3F)CC2)CC1.C=CCCc1ccc(C2CCC(C3C=CC(/C=C/C)CC3)CC2)c(F)c1F.CCCC1C=CC(C2CCC(c3ccc(OCC)c(C(F)(F)F)c3F)CC2)CC1.CCCCC1C=CC(C2CCC(c3ccc(C)c(F)c3F)CC2)CC1.CCCCC1C=CC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(/C=C/C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(C2CCC(c3ccc(CCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(C2CCC(c3ccc(OCC)c(C(F)F)c3F)CC2)CC1.CCOc1ccc(C2CCC(C3C=CC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C27H38F2O.C26H37F3O.C26H38F2.C25H32F2.C24H32F4O.C24H32F2O.C24H34F2O.C23H32F2.C21H28F2O/c1-3-5-6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(30-4-2)24(25(22)27)26(28)29;1-3-5-6-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24-18-17-23(7-4-2)25(27)26(24)28;1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19;1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(29-4-2)22(23(20)25)24(26,27)28;1-3-5-16-27-22-15-14-21(23(25)24(22)26)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18;1-3-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25;1-3-4-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-6-16(2)22(24)23(21)25;1-3-24-19-13-12-18(20(22)21(19)23)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h8,10,12-13,18-23H,3-7,9,11,14-17H2,1-2H3;8,10,16-21,26H,3-7,9,11-15H2,1-2H3;9,11,17-22H,3-8,10,12-16H2,1-2H3;3-4,6,8,10,16-21H,1,5,7,9,11-15H2,2H3;6,8,14-19H,3-5,7,9-13H2,1-2H3;4,6,8,14-15,17-20H,2-3,5,7,9-13,16H2,1H3;7,9,15-20H,3-6,8,10-14H2,1-2H3;6-7,9,15,17-20H,3-5,8,10-14H2,1-2H3;4,6,12-17H,3,5,7-11H2,1-2H3/b13-12+;;;6-4+;;;;;
InChIKeyBAFLYDXFDIPPBN-NBKWITBOSA-N
MW3442.80 g/mol
LogP68.88
Rot. Bonds61

About 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene

1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene (PubChem CID 157285857) has the molecular formula C220H303F21O6 and a molecular weight of 3442.80 g/mol. Its IUPAC name is 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene
PubChem CID157285857
Molecular FormulaC220H303F21O6
Molecular Weight3442.80 g/mol
Exact Mass3440.31
IUPAC Name1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene
SMILESC=CC1C=CC(C2CCC(c3ccc(OCCCC)c(F)c3F)CC2)CC1.C=CCCc1ccc(C2CCC(C3C=CC(/C=C/C)CC3)CC2)c(F)c1F.CCCC1C=CC(C2CCC(c3ccc(OCC)c(C(F)(F)F)c3F)CC2)CC1.CCCCC1C=CC(C2CCC(c3ccc(C)c(F)c3F)CC2)CC1.CCCCC1C=CC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(/C=C/C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(C2CCC(c3ccc(CCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(C2CCC(c3ccc(OCC)c(C(F)F)c3F)CC2)CC1.CCOc1ccc(C2CCC(C3C=CC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C27H38F2O.C26H37F3O.C26H38F2.C25H32F2.C24H32F4O.C24H32F2O.C24H34F2O.C23H32F2.C21H28F2O/c1-3-5-6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(30-4-2)24(25(22)27)26(28)29;1-3-5-6-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24-18-17-23(7-4-2)25(27)26(24)28;1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19;1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(29-4-2)22(23(20)25)24(26,27)28;1-3-5-16-27-22-15-14-21(23(25)24(22)26)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18;1-3-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25;1-3-4-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-6-16(2)22(24)23(21)25;1-3-24-19-13-12-18(20(22)21(19)23)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h8,10,12-13,18-23H,3-7,9,11,14-17H2,1-2H3;8,10,16-21,26H,3-7,9,11-15H2,1-2H3;9,11,17-22H,3-8,10,12-16H2,1-2H3;3-4,6,8,10,16-21H,1,5,7,9,11-15H2,2H3;6,8,14-19H,3-5,7,9-13H2,1-2H3;4,6,8,14-15,17-20H,2-3,5,7,9-13,16H2,1H3;7,9,15-20H,3-6,8,10-14H2,1-2H3;6-7,9,15,17-20H,3-5,8,10-14H2,1-2H3;4,6,12-17H,3,5,7-11H2,1-2H3/b13-12+;;;6-4+;;;;;
InChIKeyBAFLYDXFDIPPBN-NBKWITBOSA-N
XLogP68.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds61
Heavy Atoms247
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003442.80
LogP ≤ 568.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

1-butoxy-4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorobenzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 158729213
1-[4-(4-but-3-enylcyclohex-2-en-1-yl)cyclohexyl]-4-methylbenzene;1-but-3-enyl-4-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-[2-[4-(4-ethylcyclohex-2-en-1-yl)cyclohexyl]ethyl]-4-propylbenzene;1-[4-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]-4-pentylbenzene;1-[4-[(E)-2-(4-ethylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]-4-propylbenzene;2-fluoro-1-pentyl-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]benzene;2-fluoro-4-pentyl-1-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]cyclohexyl]benzene;1-methyl-4-[4-[(4-pentylcyclohex-2-en-1-yl)oxymethyl]cyclohexyl]benzene;1-methyl-4-[2-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]ethyl]benzene;1-pentyl-4-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene
CID 161003057
1-[4-(4-but-3-enylcyclohexyl)cyclohex-2-en-1-yl]-2,3-difluoro-4-(4-propylphenyl)benzene;1-[4-[4-(4-butylcyclohexyl)cyclohex-2-en-1-yl]phenyl]-2,3-difluoro-4-methylbenzene;2,3-difluoro-1-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]phenyl]benzene);1-(2,3-difluoro-4-methylphenyl)-4-[4-(4-ethenylcyclohexyl)cyclohex-2-en-1-yl]-2,3-difluorobenzene;2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohex-2-en-1-yl]phenyl]benzene;2,3-difluoro-1-methyl-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]phenyl]benzene;2,3-difluoro-1-[4-[(E)-4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]but-3-enyl]phenyl]-4-propylbenzene;1-ethyl-2,3-difluoro-4-[3-fluoro-4-[[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]methoxy]phenyl]benzene
CID 158060791
1-but-3-enyl-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)but-1-enyl]cyclohexyl]-2,3-difluorobenzene
CID 77417200
1-[(E)-4-[4-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]cyclohexyl]but-3-enyl]-4-pentylbenzene;1-[4-[(E)-2-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]-4-propylbenzene;2-fluoro-4-pentyl-1-[[4-[4-[(4-propylcyclohex-2-en-1-yl)methoxy]cyclohexyl]cyclohexyl]methoxy]benzene;1-methyl-4-[[4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]cyclohexyl]methoxy]benzene;1-pentyl-4-[[4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]cyclohexyl]methoxy]benzene;1-pentyl-4-[4-[(E)-2-[4-[(E)-2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]ethenyl]cyclohexyl]benzene
CID 162150994
1-[2-[4-[2,3-difluoro-4-(4-prop-1-enylcyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 77470994
1-butoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-pentoxy-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene;2,3-difluoro-1-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]-4-propoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-heptoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-nonoxybenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 157363341
1-[4-[(E)-2-[4-(4-but-3-enylphenyl)cyclohexyl]ethenyl]cyclohexyl]-4-butoxy-2,3-difluorobenzene
CID 154607293
1-[2-(2,3-difluoro-4-pentoxyphenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643372
2,3-difluoro-1-(4-methylcyclohexyl)-4-[[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohex-2-en-1-yl]methoxy]benzene
CID 139334345
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
2-(difluoromethyl)-1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3-fluoro-4-methoxybenzene;3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene;[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;3-(difluoromethyl)-1-ethoxy-2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;3-(difluoromethyl)-2-fluoro-1-methoxy-4-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzene;1-[4-[2-(difluoromethyl)-3-fluoro-4-methoxyphenyl]phenyl]-2,3-difluoro-4-propylbenzene;3-(difluoromethyl)-2-fluoro-1-methyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 160564127

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene (CID 157285857) is 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene is C=CC1C=CC(C2CCC(c3ccc(OCCCC)c(F)c3F)CC2)CC1.C=CCCc1ccc(C2CCC(C3C=CC(/C=C/C)CC3)CC2)c(F)c1F.CCCC1C=CC(C2CCC(c3ccc(OCC)c(C(F)(F)F)c3F)CC2)CC1.CCCCC1C=CC(C2CCC(c3ccc(C)c(F)c3F)CC2)CC1.CCCCC1C=CC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(/C=C/C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(C2CCC(c3ccc(CCC)c(F)c3F)CC2)CC1.CCCCCC1C=CC(C2CCC(c3ccc(OCC)c(C(F)F)c3F)CC2)CC1.CCOc1ccc(C2CCC(C3C=CC(C)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene?
The InChIKey is BAFLYDXFDIPPBN-NBKWITBOSA-N. The full InChI is InChI=1S/C27H38F2O.C26H37F3O.C26H38F2.C25H32F2.C24H32F4O.C24H32F2O.C24H34F2O.C23H32F2.C21H28F2O/c1-3-5-6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)24-18-19-25(30-4-2)27(29)26(24)28;1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(30-4-2)24(25(22)27)26(28)29;1-3-5-6-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)24-18-17-23(7-4-2)25(27)26(24)28;1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19;1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(29-4-2)22(23(20)25)24(26,27)28;1-3-5-16-27-22-15-14-21(23(25)24(22)26)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18;1-3-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25;1-3-4-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-6-16(2)22(24)23(21)25;1-3-24-19-13-12-18(20(22)21(19)23)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h8,10,12-13,18-23H,3-7,9,11,14-17H2,1-2H3;8,10,16-21,26H,3-7,9,11-15H2,1-2H3;9,11,17-22H,3-8,10,12-16H2,1-2H3;3-4,6,8,10,16-21H,1,5,7,9,11-15H2,2H3;6,8,14-19H,3-5,7,9-13H2,1-2H3;4,6,8,14-15,17-20H,2-3,5,7,9-13,16H2,1H3;7,9,15-20H,3-6,8,10-14H2,1-2H3;6-7,9,15,17-20H,3-5,8,10-14H2,1-2H3;4,6,12-17H,3,5,7-11H2,1-2H3/b13-12+;;;6-4+;;;;;.
What are the key properties of 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene?
1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene has a molecular weight of 3442.80 g/mol, XLogP of 68.88, 61 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohex-2-en-1-yl]cyclohexyl]benzene;1-butoxy-4-[4-(4-ethenylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluorobenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-butylcyclohex-2-en-1-yl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2-(difluoromethyl)-1-ethoxy-3-fluoro-4-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-propylbenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]benzene;1-ethoxy-3-fluoro-4-[4-(4-propylcyclohex-2-en-1-yl)cyclohexyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 157285857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).