1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate

C250H378F14O9S — CID 160985127

IUPAC1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate
SMILESCCCC1CCC(C2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCC1CCC(C2CCC(CCC3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCC1CCC(C2CCC3CC(c4ccc(CCc5c(C)cc(COC)cc5F)cc4)CCC3C2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(C)c(F)c4F)CC3)CC2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(COc4c(C)cc(OCCCC)c(F)c4F)CC3)CC2)CC1.CCCCCCc1ccc(CCc2ccc(SC(=O)C3CCC(C(F)(F)Oc4c(F)cc(C(=O)CC)cc4CC)CC3)cc2)cc1
InChIInChI=1S/C39H47F3O3S.C37H60F2O2.C37H53FO.C36H58F2O.C35H56F2.C34H54F2O.C32H50F2O/c1-4-7-8-9-10-27-11-13-28(14-12-27)15-16-29-17-23-34(24-18-29)46-38(44)31-19-21-33(22-20-31)39(41,42)45-37-30(5-2)25-32(26-35(37)40)36(43)6-3;1-4-6-8-9-28-10-12-29(13-11-28)14-15-30-16-20-32(21-17-30)33-22-18-31(19-23-33)26-41-37-27(3)25-34(35(38)36(37)39)40-24-7-5-2;1-4-5-6-27-7-12-30(13-8-27)32-16-18-35-24-33(17-19-34(35)23-32)31-14-9-28(10-15-31)11-20-36-26(2)21-29(25-39-3)22-37(36)38;1-4-6-7-8-27-9-11-28(12-10-27)13-14-29-15-20-31(21-16-29)32-22-17-30(18-23-32)19-24-33-26(3)25-34(39-5-2)36(38)35(33)37;1-4-5-6-7-27-8-10-28(11-9-27)12-13-29-14-19-31(20-15-29)32-21-16-30(17-22-32)18-23-33-25(2)24-26(3)34(36)35(33)37;1-4-6-25-13-18-29(19-14-25)30-20-15-28(16-21-30)12-9-26-7-10-27(11-8-26)17-22-31-24(3)23-32(37-5-2)34(36)33(31)35;1-4-6-23-7-12-25(13-8-23)27-16-18-28(19-17-27)26-14-9-24(10-15-26)11-20-29-22(3)21-30(35-5-2)32(34)31(29)33/h11-14,17-18,23-26,31,33H,4-10,15-16,19-22H2,1-3H3;25,28-33H,4-24,26H2,1-3H3;9-10,14-15,21-22,27,30,32-35H,4-8,11-13,16-20,23-25H2,1-3H3;25,27-32H,4-24H2,1-3H3;24,27-32H,4-23H2,1-3H3;23,25-30H,4-22H2,1-3H3;21,23-28H,4-20H2,1-3H3
InChIKeyTTWDAOISDJKFOR-UHFFFAOYSA-N
MW3825.80 g/mol
LogP76.06
Rot. Bonds85

About 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate

1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate (PubChem CID 160985127) has the molecular formula C250H378F14O9S and a molecular weight of 3825.80 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate
PubChem CID160985127
Molecular FormulaC250H378F14O9S
Molecular Weight3825.80 g/mol
Exact Mass3822.86
IUPAC Name1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate
SMILESCCCC1CCC(C2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCC1CCC(C2CCC(CCC3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCC1CCC(C2CCC3CC(c4ccc(CCc5c(C)cc(COC)cc5F)cc4)CCC3C2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(C)c(F)c4F)CC3)CC2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(COc4c(C)cc(OCCCC)c(F)c4F)CC3)CC2)CC1.CCCCCCc1ccc(CCc2ccc(SC(=O)C3CCC(C(F)(F)Oc4c(F)cc(C(=O)CC)cc4CC)CC3)cc2)cc1
InChIInChI=1S/C39H47F3O3S.C37H60F2O2.C37H53FO.C36H58F2O.C35H56F2.C34H54F2O.C32H50F2O/c1-4-7-8-9-10-27-11-13-28(14-12-27)15-16-29-17-23-34(24-18-29)46-38(44)31-19-21-33(22-20-31)39(41,42)45-37-30(5-2)25-32(26-35(37)40)36(43)6-3;1-4-6-8-9-28-10-12-29(13-11-28)14-15-30-16-20-32(21-17-30)33-22-18-31(19-23-33)26-41-37-27(3)25-34(35(38)36(37)39)40-24-7-5-2;1-4-5-6-27-7-12-30(13-8-27)32-16-18-35-24-33(17-19-34(35)23-32)31-14-9-28(10-15-31)11-20-36-26(2)21-29(25-39-3)22-37(36)38;1-4-6-7-8-27-9-11-28(12-10-27)13-14-29-15-20-31(21-16-29)32-22-17-30(18-23-32)19-24-33-26(3)25-34(39-5-2)36(38)35(33)37;1-4-5-6-7-27-8-10-28(11-9-27)12-13-29-14-19-31(20-15-29)32-21-16-30(17-22-32)18-23-33-25(2)24-26(3)34(36)35(33)37;1-4-6-25-13-18-29(19-14-25)30-20-15-28(16-21-30)12-9-26-7-10-27(11-8-26)17-22-31-24(3)23-32(37-5-2)34(36)33(31)35;1-4-6-23-7-12-25(13-8-23)27-16-18-28(19-17-27)26-14-9-24(10-15-26)11-20-29-22(3)21-30(35-5-2)32(34)31(29)33/h11-14,17-18,23-26,31,33H,4-10,15-16,19-22H2,1-3H3;25,28-33H,4-24,26H2,1-3H3;9-10,14-15,21-22,27,30,32-35H,4-8,11-13,16-20,23-25H2,1-3H3;25,27-32H,4-24H2,1-3H3;24,27-32H,4-23H2,1-3H3;23,25-30H,4-22H2,1-3H3;21,23-28H,4-20H2,1-3H3
InChIKeyTTWDAOISDJKFOR-UHFFFAOYSA-N
XLogP76.06
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds85
Heavy Atoms274
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003825.80
LogP ≤ 576.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?
The IUPAC name of 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate (CID 160985127) is 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate.
What is the SMILES notation for 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?
The canonical SMILES for 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate is CCCC1CCC(C2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCC1CCC(C2CCC(CCC3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCC1CCC(C2CCC3CC(c4ccc(CCc5c(C)cc(COC)cc5F)cc4)CCC3C2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(C)c(F)c4F)CC3)CC2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(COc4c(C)cc(OCCCC)c(F)c4F)CC3)CC2)CC1.CCCCCCc1ccc(CCc2ccc(SC(=O)C3CCC(C(F)(F)Oc4c(F)cc(C(=O)CC)cc4CC)CC3)cc2)cc1.
What is the InChIKey of 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?
The InChIKey is TTWDAOISDJKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47F3O3S.C37H60F2O2.C37H53FO.C36H58F2O.C35H56F2.C34H54F2O.C32H50F2O/c1-4-7-8-9-10-27-11-13-28(14-12-27)15-16-29-17-23-34(24-18-29)46-38(44)31-19-21-33(22-20-31)39(41,42)45-37-30(5-2)25-32(26-35(37)40)36(43)6-3;1-4-6-8-9-28-10-12-29(13-11-28)14-15-30-16-20-32(21-17-30)33-22-18-31(19-23-33)26-41-37-27(3)25-34(35(38)36(37)39)40-24-7-5-2;1-4-5-6-27-7-12-30(13-8-27)32-16-18-35-24-33(17-19-34(35)23-32)31-14-9-28(10-15-31)11-20-36-26(2)21-29(25-39-3)22-37(36)38;1-4-6-7-8-27-9-11-28(12-10-27)13-14-29-15-20-31(21-16-29)32-22-17-30(18-23-32)19-24-33-26(3)25-34(39-5-2)36(38)35(33)37;1-4-5-6-7-27-8-10-28(11-9-27)12-13-29-14-19-31(20-15-29)32-21-16-30(17-22-32)18-23-33-25(2)24-26(3)34(36)35(33)37;1-4-6-25-13-18-29(19-14-25)30-20-15-28(16-21-30)12-9-26-7-10-27(11-8-26)17-22-31-24(3)23-32(37-5-2)34(36)33(31)35;1-4-6-23-7-12-25(13-8-23)27-16-18-28(19-17-27)26-14-9-24(10-15-26)11-20-29-22(3)21-30(35-5-2)32(34)31(29)33/h11-14,17-18,23-26,31,33H,4-10,15-16,19-22H2,1-3H3;25,28-33H,4-24,26H2,1-3H3;9-10,14-15,21-22,27,30,32-35H,4-8,11-13,16-20,23-25H2,1-3H3;25,27-32H,4-24H2,1-3H3;24,27-32H,4-23H2,1-3H3;23,25-30H,4-22H2,1-3H3;21,23-28H,4-20H2,1-3H3.
What are the key properties of 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?
1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate has a molecular weight of 3825.80 g/mol, XLogP of 76.06, 85 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-difluoro-5-methyl-4-[[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]benzene;2-(4-butylcyclohexyl)-6-[4-[2-[2-fluoro-4-(methoxymethyl)-6-methylphenyl]ethyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3-difluoro-1,5-dimethyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[2-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]ethyl]benzene;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate is sourced from PubChem (CID 160985127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).