1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene

C105H127F11O3 — CID 54165927

IUPAC1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene
SMILESCc1c(F)cc(-c2ccc(CCC3CCC(C4CCCCC4)CC3)cc2)cc1F.Cc1c(F)cc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F
InChIInChI=1S/C27H34F2.C26H30F4O.C26H31F3O.C26H32F2O/c1-19-26(28)17-25(18-27(19)29)24-15-11-21(12-16-24)8-7-20-9-13-23(14-10-20)22-5-3-2-4-6-22;1-17-24(27)15-23(16-25(17)28)31-26(29,30)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-2-4-6-18;1-18-7-16-24(17-25(18)27)30-26(28,29)23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-5-3-2-4-6-19;1-19-7-17-25(18-8-19)29-26(27,28)24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h11-12,15-18,20,22-23H,2-10,13-14H2,1H3;11-16,18-20H,2-10H2,1H3;7,12-17,19-21H,2-6,8-11H2,1H3;7-8,13-18,20-22H,2-6,9-12H2,1H3
InChIKeyZNBBKWXPSAMSDU-UHFFFAOYSA-N
MW1646.15 g/mol
LogP32.61
Rot. Bonds20

About 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene

1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene (PubChem CID 54165927) has the molecular formula C105H127F11O3 and a molecular weight of 1646.15 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene
PubChem CID54165927
Molecular FormulaC105H127F11O3
Molecular Weight1646.15 g/mol
Exact Mass1644.96
IUPAC Name1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene
SMILESCc1c(F)cc(-c2ccc(CCC3CCC(C4CCCCC4)CC3)cc2)cc1F.Cc1c(F)cc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F
InChIInChI=1S/C27H34F2.C26H30F4O.C26H31F3O.C26H32F2O/c1-19-26(28)17-25(18-27(19)29)24-15-11-21(12-16-24)8-7-20-9-13-23(14-10-20)22-5-3-2-4-6-22;1-17-24(27)15-23(16-25(17)28)31-26(29,30)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-2-4-6-18;1-18-7-16-24(17-25(18)27)30-26(28,29)23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-5-3-2-4-6-19;1-19-7-17-25(18-8-19)29-26(27,28)24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h11-12,15-18,20,22-23H,2-10,13-14H2,1H3;11-16,18-20H,2-10H2,1H3;7,12-17,19-21H,2-6,8-11H2,1H3;7-8,13-18,20-22H,2-6,9-12H2,1H3
InChIKeyZNBBKWXPSAMSDU-UHFFFAOYSA-N
XLogP32.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001646.15
LogP ≤ 532.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene (CID 54165927) is 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene is Cc1c(F)cc(-c2ccc(CCC3CCC(C4CCCCC4)CC3)cc2)cc1F.Cc1c(F)cc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C4CCCCC4)CC3)cc2)cc1F.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene?
The InChIKey is ZNBBKWXPSAMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2.C26H30F4O.C26H31F3O.C26H32F2O/c1-19-26(28)17-25(18-27(19)29)24-15-11-21(12-16-24)8-7-20-9-13-23(14-10-20)22-5-3-2-4-6-22;1-17-24(27)15-23(16-25(17)28)31-26(29,30)22-13-11-21(12-14-22)20-9-7-19(8-10-20)18-5-3-2-4-6-18;1-18-7-16-24(17-25(18)27)30-26(28,29)23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-5-3-2-4-6-19;1-19-7-17-25(18-8-19)29-26(27,28)24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h11-12,15-18,20,22-23H,2-10,13-14H2,1H3;11-16,18-20H,2-10H2,1H3;7,12-17,19-21H,2-6,8-11H2,1H3;7-8,13-18,20-22H,2-6,9-12H2,1H3.
What are the key properties of 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene?
1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene has a molecular weight of 1646.15 g/mol, XLogP of 32.61, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-4-[difluoro-(4-methylphenoxy)methyl]benzene;5-[4-[2-(4-cyclohexylcyclohexyl)ethyl]phenyl]-1,3-difluoro-2-methylbenzene;5-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-methylbenzene;4-[[4-(4-cyclohexylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 54165927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).