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

C19H30F4O — CID 71162024

IUPAC4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane
SMILESFC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2F)CC1
InChIInChI=1S/C19H30F4O/c20-15-7-9-16(10-8-15)24-19(22,23)17-11-6-14(12-18(17)21)13-4-2-1-3-5-13/h13-18H,1-12H2
InChIKeyQHQWRVRXFHYPJE-UHFFFAOYSA-N
MW350.44 g/mol
LogP6.21
Rot. Bonds4

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

4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane (PubChem CID 71162024) has the molecular formula C19H30F4O and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane
PubChem CID71162024
Molecular FormulaC19H30F4O
Molecular Weight350.44 g/mol
Exact Mass350.22
IUPAC Name4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane
SMILESFC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2F)CC1
InChIInChI=1S/C19H30F4O/c20-15-7-9-16(10-8-15)24-19(22,23)17-11-6-14(12-18(17)21)13-4-2-1-3-5-13/h13-18H,1-12H2
InChIKeyQHQWRVRXFHYPJE-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)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-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane?
The IUPAC name of 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane (CID 71162024) is 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane?
The canonical SMILES for 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane is FC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2F)CC1.
What is the InChIKey of 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane?
The InChIKey is QHQWRVRXFHYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F4O/c20-15-7-9-16(10-8-15)24-19(22,23)17-11-6-14(12-18(17)21)13-4-2-1-3-5-13/h13-18H,1-12H2.
What are the key properties of 4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane?
4-cyclohexyl-1-[difluoro-(4-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane has a molecular weight of 350.44 g/mol, XLogP of 6.21, 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-fluorocyclohexyl)oxymethyl]-2-fluorocyclohexane is sourced from PubChem (CID 71162024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).