5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane

C26H36F10O2 — CID 89323801

About 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane

5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane (PubChem CID 89323801) has the molecular formula C26H36F10O2 and a molecular weight of 570.55 g/mol. Its IUPAC name is 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane.

Molecular Properties

• Compound Name: 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane
• PubChem CID: 89323801
• Molecular Formula: C26H36F10O2
• Molecular Weight: 570.55 g/mol
• Exact Mass: 570.26
• IUPAC Name: 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane
• SMILES: FC1CC(C2CCCCC2)CCC1C1CC(F)C(C(F)(F)OC2CC(F)C(OC(F)(F)F)C(F)C2)C(F)C1
• InChI: InChI=1S/C26H36F10O2/c27-18-8-14(13-4-2-1-3-5-13)6-7-17(18)15-9-19(28)23(20(29)10-15)25(32,33)37-16-11-21(30)24(22(31)12-16)38-26(34,35)36/h13-24H,1-12H2
• InChIKey: QRPCARVZZNVDHC-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.55
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane?

The IUPAC name of 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane (CID 89323801) is 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane.

What is the SMILES notation for 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane?

The canonical SMILES for 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane is FC1CC(C2CCCCC2)CCC1C1CC(F)C(C(F)(F)OC2CC(F)C(OC(F)(F)F)C(F)C2)C(F)C1.

What is the InChIKey of 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane?

The InChIKey is QRPCARVZZNVDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F10O2/c27-18-8-14(13-4-2-1-3-5-13)6-7-17(18)15-9-19(28)23(20(29)10-15)25(32,33)37-16-11-21(30)24(22(31)12-16)38-26(34,35)36/h13-24H,1-12H2.

What are the key properties of 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane?

5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane has a molecular weight of 570.55 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane is sourced from PubChem (CID 89323801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).