1-cyclohexyl-2,2-difluoroethanone

C8H12F2O — CID 23235830

IUPAC1-cyclohexyl-2,2-difluoroethanone
SMILESO=C(C(F)F)C1CCCCC1
InChIInChI=1S/C8H12F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h6,8H,1-5H2
InChIKeyXGWUSEIMBHYVAJ-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds2

About 1-cyclohexyl-2,2-difluoroethanone

1-cyclohexyl-2,2-difluoroethanone (PubChem CID 23235830) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-difluoroethanone.

Molecular Properties

Compound Name1-cyclohexyl-2,2-difluoroethanone
PubChem CID23235830
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-cyclohexyl-2,2-difluoroethanone
SMILESO=C(C(F)F)C1CCCCC1
InChIInChI=1S/C8H12F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h6,8H,1-5H2
InChIKeyXGWUSEIMBHYVAJ-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-2,2-difluoroethanone 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 1-cyclohexyl-2,2-difluoroethanone?
The IUPAC name of 1-cyclohexyl-2,2-difluoroethanone (CID 23235830) is 1-cyclohexyl-2,2-difluoroethanone.
What is the SMILES notation for 1-cyclohexyl-2,2-difluoroethanone?
The canonical SMILES for 1-cyclohexyl-2,2-difluoroethanone is O=C(C(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-difluoroethanone?
The InChIKey is XGWUSEIMBHYVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h6,8H,1-5H2.
What are the key properties of 1-cyclohexyl-2,2-difluoroethanone?
1-cyclohexyl-2,2-difluoroethanone has a molecular weight of 162.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-difluoroethanone is sourced from PubChem (CID 23235830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).