1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene

C44H60F8O — CID 91212587

About 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene

1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene (PubChem CID 91212587) has the molecular formula C44H60F8O and a molecular weight of 756.95 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
• PubChem CID: 91212587
• Molecular Formula: C44H60F8O
• Molecular Weight: 756.95 g/mol
• Exact Mass: 756.45
• IUPAC Name: 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
• SMILES: CC1CCC(CCC2CCC(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)CC1.CC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
• InChI: InChI=1S/C22H29F5.C22H31F3O/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)22(25,26)27;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-17H,2-11H2,1H3;12-19H,2-11H2,1H3
• InChIKey: MWUOSLPDBKCWMA-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.95
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?

The IUPAC name of 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene (CID 91212587) is 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene.

What is the SMILES notation for 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?

The canonical SMILES for 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene is CC1CCC(CCC2CCC(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)CC1.CC1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.

What is the InChIKey of 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?

The InChIKey is MWUOSLPDBKCWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F5.C22H31F3O/c1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)22(25,26)27;1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-17H,2-11H2,1H3;12-19H,2-11H2,1H3.

What are the key properties of 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene?

1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene has a molecular weight of 756.95 g/mol, XLogP of 15.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 91212587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).