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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate

C175H246F14O7S2 — CID 158330887

About 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate

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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate (PubChem CID 158330887) has the molecular formula C175H246F14O7S2 and a molecular weight of 2791.99 g/mol. Its IUPAC name is 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate.

Molecular Properties

• Compound Name: 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate
• PubChem CID: 158330887
• Molecular Formula: C175H246F14O7S2
• Molecular Weight: 2791.99 g/mol
• Exact Mass: 2789.81
• IUPAC Name: 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate
• SMILES: CCCC1CCC(C2CCC(C3CCC(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(OCC)c(F)c4F)CC3)CC2)CC1.CCCCCCc1ccc(CCc2ccc(SC(=O)C3CCC(C(F)(F)Oc4c(F)cc(C(=O)CC)cc4CC)CC3)cc2)cc1.CCCc1cc(C)c(SCC2CCC(c3ccc(C(F)(F)OC4CCC(CF)CC4)c(F)c3F)CC2)c(F)c1
• InChI: InChI=1S/C39H47F3O3S.C37H53FO.C36H58F2O.C32H50F2O.C31H38F6OS/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;1-4-5-6-27-7-12-30(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;1-4-6-23-7-12-25(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;1-3-4-22-15-19(2)30(27(33)16-22)39-18-21-5-9-23(10-6-21)25-13-14-26(29(35)28(25)34)31(36,37)38-24-11-7-20(17-32)8-12-24/h11-14,17-18,23-26,31,33H,4-10,15-16,19-22H2,1-3H3;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;21,23-28H,4-20H2,1-3H3;13-16,20-21,23-24H,3-12,17-18H2,1-2H3
• InChIKey: GPZNYISVCVAQOK-UHFFFAOYSA-N
• XLogP: 52.58
• TPSA: 80.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 58
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2791.99
LogP ≤ 5	52.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?

The IUPAC name of 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate (CID 158330887) is 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate.

What is the SMILES notation for 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?

The canonical SMILES for 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;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.CCCCC1CCC(C2CCC3CC(c4ccc(CCc5c(C)cc(COC)cc5F)cc4)CCC3C2)CC1.CCCCCC1CCC(CCC2CCC(C3CCC(CCc4c(C)cc(OCC)c(F)c4F)CC3)CC2)CC1.CCCCCCc1ccc(CCc2ccc(SC(=O)C3CCC(C(F)(F)Oc4c(F)cc(C(=O)CC)cc4CC)CC3)cc2)cc1.CCCc1cc(C)c(SCC2CCC(c3ccc(C(F)(F)OC4CCC(CF)CC4)c(F)c3F)CC2)c(F)c1.

What is the InChIKey of 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?

The InChIKey is GPZNYISVCVAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47F3O3S.C37H53FO.C36H58F2O.C32H50F2O.C31H38F6OS/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;1-4-5-6-27-7-12-30(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;1-4-6-23-7-12-25(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;1-3-4-22-15-19(2)30(27(33)16-22)39-18-21-5-9-23(10-6-21)25-13-14-26(29(35)28(25)34)31(36,37)38-24-11-7-20(17-32)8-12-24/h11-14,17-18,23-26,31,33H,4-10,15-16,19-22H2,1-3H3;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;21,23-28H,4-20H2,1-3H3;13-16,20-21,23-24H,3-12,17-18H2,1-2H3.

What are the key properties of 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate?

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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate has a molecular weight of 2791.99 g/mol, XLogP of 52.58, 58 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[difluoro-[4-(fluoromethyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-[4-[(2-fluoro-6-methyl-4-propylphenyl)sulfanylmethyl]cyclohexyl]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;S-[4-[2-(4-hexylphenyl)ethyl]phenyl] 4-[(2-ethyl-6-fluoro-4-propanoylphenoxy)-difluoromethyl]cyclohexane-1-carbothioate is sourced from PubChem (CID 158330887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).