1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene

C219H223F45O16 — CID 159623040

IUPAC1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESC/C=C/C1CCC(C2CCC(c3ccc(OC(F)(F)COc4ccc(CC)cc4)c(F)c3F)CC2)CC1.C=CC1CCC(/C=C/C2CCC(c3ccc(OC(F)(F)COc4ccc(C)c(F)c4F)c(F)c3F)CC2)CC1.C=CCCc1ccc(OCC(F)(F)Oc2ccc(-c3ccc(C4CCC(C=C)CC4)cc3)cc2)cc1.CCCC1CCC(COc2ccc(-c3ccc(OC(F)(F)COc4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1.CCCCCc1ccc(OCC(F)(F)Oc2cc(F)c(-c3ccc(C4CC=C(OC(F)(F)F)CC4)cc3)c(F)c2)c(F)c1.CCCc1ccc(OCC(F)(F)Oc2cc(F)c(-c3ccc(C4CCC(C(F)(F)F)CC4)c(F)c3)c(F)c2)cc1.CCCc1ccc(OCC(F)(F)Oc2ccc(-c3cc(F)c(C4CCC(/C(F)=C(\F)C(F)(F)F)CC4)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C32H27F11O2.C32H30F8O3.C32H34F2O2.C31H32F6O3.C31H34F6O2.C31H38F4O2.C30H28F8O2/c1-2-3-17-4-11-27(24(34)12-17)44-16-31(39,40)45-21-9-10-22(23(33)15-21)20-13-25(35)28(26(36)14-20)18-5-7-19(8-6-18)29(37)30(38)32(41,42)43;1-2-3-4-5-20-6-15-29(26(33)16-20)41-19-31(36,37)42-25-17-27(34)30(28(35)18-25)23-9-7-21(8-10-23)22-11-13-24(14-12-22)43-32(38,39)40;1-3-5-6-25-9-19-30(20-10-25)35-23-32(33,34)36-31-21-17-29(18-22-31)28-15-13-27(14-16-28)26-11-7-24(4-2)8-12-26;1-3-4-20-6-8-21(9-7-20)17-38-25-16-14-24(28(33)30(25)35)22-10-12-23(13-11-22)40-31(36,37)18-39-26-15-5-19(2)27(32)29(26)34;1-3-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-26(30(35)28(24)33)39-31(36,37)18-38-25-16-4-19(2)27(32)29(25)34;1-3-5-22-6-10-23(11-7-22)24-12-14-25(15-13-24)27-18-19-28(30(33)29(27)32)37-31(34,35)20-36-26-16-8-21(4-2)9-17-26;1-2-3-18-4-11-22(12-5-18)39-17-29(34,35)40-23-15-26(32)28(27(33)16-23)20-8-13-24(25(31)14-20)19-6-9-21(10-7-19)30(36,37)38/h4,9-15,18-19H,2-3,5-8,16H2,1H3;6-10,13,15-18,22H,2-5,11-12,14,19H2,1H3;3-4,9-10,13-22,24,26H,1-2,5-8,11-12,23H2;5,10-16,20-21H,3-4,6-9,17-18H2,1-2H3;3-4,9-10,15-17,20-23H,1,5-8,11-14,18H2,2H3;3,5,8-9,16-19,22-25H,4,6-7,10-15,20H2,1-2H3;4-5,8,11-16,19,21H,2-3,6-7,9-10,17H2,1H3/b30-29+;;;;10-9+;5-3+;
InChIKeyMODDPYILSHRNAQ-CDRBQVSFSA-N
MW3966.09 g/mol
LogP67.65
Rot. Bonds71

About 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene

1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 159623040) has the molecular formula C219H223F45O16 and a molecular weight of 3966.09 g/mol. Its IUPAC name is 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
PubChem CID159623040
Molecular FormulaC219H223F45O16
Molecular Weight3966.09 g/mol
Exact Mass3963.59
IUPAC Name1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESC/C=C/C1CCC(C2CCC(c3ccc(OC(F)(F)COc4ccc(CC)cc4)c(F)c3F)CC2)CC1.C=CC1CCC(/C=C/C2CCC(c3ccc(OC(F)(F)COc4ccc(C)c(F)c4F)c(F)c3F)CC2)CC1.C=CCCc1ccc(OCC(F)(F)Oc2ccc(-c3ccc(C4CCC(C=C)CC4)cc3)cc2)cc1.CCCC1CCC(COc2ccc(-c3ccc(OC(F)(F)COc4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1.CCCCCc1ccc(OCC(F)(F)Oc2cc(F)c(-c3ccc(C4CC=C(OC(F)(F)F)CC4)cc3)c(F)c2)c(F)c1.CCCc1ccc(OCC(F)(F)Oc2cc(F)c(-c3ccc(C4CCC(C(F)(F)F)CC4)c(F)c3)c(F)c2)cc1.CCCc1ccc(OCC(F)(F)Oc2ccc(-c3cc(F)c(C4CCC(/C(F)=C(\F)C(F)(F)F)CC4)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C32H27F11O2.C32H30F8O3.C32H34F2O2.C31H32F6O3.C31H34F6O2.C31H38F4O2.C30H28F8O2/c1-2-3-17-4-11-27(24(34)12-17)44-16-31(39,40)45-21-9-10-22(23(33)15-21)20-13-25(35)28(26(36)14-20)18-5-7-19(8-6-18)29(37)30(38)32(41,42)43;1-2-3-4-5-20-6-15-29(26(33)16-20)41-19-31(36,37)42-25-17-27(34)30(28(35)18-25)23-9-7-21(8-10-23)22-11-13-24(14-12-22)43-32(38,39)40;1-3-5-6-25-9-19-30(20-10-25)35-23-32(33,34)36-31-21-17-29(18-22-31)28-15-13-27(14-16-28)26-11-7-24(4-2)8-12-26;1-3-4-20-6-8-21(9-7-20)17-38-25-16-14-24(28(33)30(25)35)22-10-12-23(13-11-22)40-31(36,37)18-39-26-15-5-19(2)27(32)29(26)34;1-3-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-26(30(35)28(24)33)39-31(36,37)18-38-25-16-4-19(2)27(32)29(25)34;1-3-5-22-6-10-23(11-7-22)24-12-14-25(15-13-24)27-18-19-28(30(33)29(27)32)37-31(34,35)20-36-26-16-8-21(4-2)9-17-26;1-2-3-18-4-11-22(12-5-18)39-17-29(34,35)40-23-15-26(32)28(27(33)16-23)20-8-13-24(25(31)14-20)19-6-9-21(10-7-19)30(36,37)38/h4,9-15,18-19H,2-3,5-8,16H2,1H3;6-10,13,15-18,22H,2-5,11-12,14,19H2,1H3;3-4,9-10,13-22,24,26H,1-2,5-8,11-12,23H2;5,10-16,20-21H,3-4,6-9,17-18H2,1-2H3;3-4,9-10,15-17,20-23H,1,5-8,11-14,18H2,2H3;3,5,8-9,16-19,22-25H,4,6-7,10-15,20H2,1-2H3;4-5,8,11-16,19,21H,2-3,6-7,9-10,17H2,1H3/b30-29+;;;;10-9+;5-3+;
InChIKeyMODDPYILSHRNAQ-CDRBQVSFSA-N
XLogP67.65
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds71
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003966.09
LogP ≤ 567.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene (CID 159623040) is 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene is C/C=C/C1CCC(C2CCC(c3ccc(OC(F)(F)COc4ccc(CC)cc4)c(F)c3F)CC2)CC1.C=CC1CCC(/C=C/C2CCC(c3ccc(OC(F)(F)COc4ccc(C)c(F)c4F)c(F)c3F)CC2)CC1.C=CCCc1ccc(OCC(F)(F)Oc2ccc(-c3ccc(C4CCC(C=C)CC4)cc3)cc2)cc1.CCCC1CCC(COc2ccc(-c3ccc(OC(F)(F)COc4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1.CCCCCc1ccc(OCC(F)(F)Oc2cc(F)c(-c3ccc(C4CC=C(OC(F)(F)F)CC4)cc3)c(F)c2)c(F)c1.CCCc1ccc(OCC(F)(F)Oc2cc(F)c(-c3ccc(C4CCC(C(F)(F)F)CC4)c(F)c3)c(F)c2)cc1.CCCc1ccc(OCC(F)(F)Oc2ccc(-c3cc(F)c(C4CCC(/C(F)=C(\F)C(F)(F)F)CC4)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is MODDPYILSHRNAQ-CDRBQVSFSA-N. The full InChI is InChI=1S/C32H27F11O2.C32H30F8O3.C32H34F2O2.C31H32F6O3.C31H34F6O2.C31H38F4O2.C30H28F8O2/c1-2-3-17-4-11-27(24(34)12-17)44-16-31(39,40)45-21-9-10-22(23(33)15-21)20-13-25(35)28(26(36)14-20)18-5-7-19(8-6-18)29(37)30(38)32(41,42)43;1-2-3-4-5-20-6-15-29(26(33)16-20)41-19-31(36,37)42-25-17-27(34)30(28(35)18-25)23-9-7-21(8-10-23)22-11-13-24(14-12-22)43-32(38,39)40;1-3-5-6-25-9-19-30(20-10-25)35-23-32(33,34)36-31-21-17-29(18-22-31)28-15-13-27(14-16-28)26-11-7-24(4-2)8-12-26;1-3-4-20-6-8-21(9-7-20)17-38-25-16-14-24(28(33)30(25)35)22-10-12-23(13-11-22)40-31(36,37)18-39-26-15-5-19(2)27(32)29(26)34;1-3-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-26(30(35)28(24)33)39-31(36,37)18-38-25-16-4-19(2)27(32)29(25)34;1-3-5-22-6-10-23(11-7-22)24-12-14-25(15-13-24)27-18-19-28(30(33)29(27)32)37-31(34,35)20-36-26-16-8-21(4-2)9-17-26;1-2-3-18-4-11-22(12-5-18)39-17-29(34,35)40-23-15-26(32)28(27(33)16-23)20-8-13-24(25(31)14-20)19-6-9-21(10-7-19)30(36,37)38/h4,9-15,18-19H,2-3,5-8,16H2,1H3;6-10,13,15-18,22H,2-5,11-12,14,19H2,1H3;3-4,9-10,13-22,24,26H,1-2,5-8,11-12,23H2;5,10-16,20-21H,3-4,6-9,17-18H2,1-2H3;3-4,9-10,15-17,20-23H,1,5-8,11-14,18H2,2H3;3,5,8-9,16-19,22-25H,4,6-7,10-15,20H2,1-2H3;4-5,8,11-16,19,21H,2-3,6-7,9-10,17H2,1H3/b30-29+;;;;10-9+;5-3+;.
What are the key properties of 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 3966.09 g/mol, XLogP of 67.65, 71 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[2-[4-[4-(4-ethenylcyclohexyl)phenyl]phenoxy]-2,2-difluoroethoxy]benzene;5-[1,1-difluoro-2-(2-fluoro-4-pentylphenoxy)ethoxy]-1,3-difluoro-2-[4-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]phenyl]benzene;5-[4-[1,1-difluoro-2-(2-fluoro-4-propylphenoxy)ethoxy]-2-fluorophenyl]-1,3-difluoro-2-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]benzene;1-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]-4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-2,3-difluorobenzene;1-[4-[2-(2,3-difluoro-4-methylphenoxy)-1,1-difluoroethoxy]phenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;5-[1,1-difluoro-2-(4-propylphenoxy)ethoxy]-1,3-difluoro-2-[3-fluoro-4-[4-(trifluoromethyl)cyclohexyl]phenyl]benzene;1-[2-(4-ethylphenoxy)-1,1-difluoroethoxy]-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 159623040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).