4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane

C20H30F6O — CID 89326311

IUPAC4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
SMILESFC1CC(C2CCCCC2)CCC1C(F)(F)OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H30F6O/c21-18-12-14(13-4-2-1-3-5-13)6-11-17(18)20(25,26)27-16-9-7-15(8-10-16)19(22,23)24/h13-18H,1-12H2
InChIKeyAJNCKFWLYRSESC-UHFFFAOYSA-N
MW400.45 g/mol
LogP7.05
Rot. Bonds4

About 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane

4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane (PubChem CID 89326311) has the molecular formula C20H30F6O and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
PubChem CID89326311
Molecular FormulaC20H30F6O
Molecular Weight400.45 g/mol
Exact Mass400.22
IUPAC Name4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
SMILESFC1CC(C2CCCCC2)CCC1C(F)(F)OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H30F6O/c21-18-12-14(13-4-2-1-3-5-13)6-11-17(18)20(25,26)27-16-9-7-15(8-10-16)19(22,23)24/h13-18H,1-12H2
InChIKeyAJNCKFWLYRSESC-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
The IUPAC name of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane (CID 89326311) is 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
The canonical SMILES for 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane is FC1CC(C2CCCCC2)CCC1C(F)(F)OC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
The InChIKey is AJNCKFWLYRSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F6O/c21-18-12-14(13-4-2-1-3-5-13)6-11-17(18)20(25,26)27-16-9-7-15(8-10-16)19(22,23)24/h13-18H,1-12H2.
What are the key properties of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane has a molecular weight of 400.45 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane is sourced from PubChem (CID 89326311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).