2-cyclohexyl-2,2-difluoroacetyl chloride

C8H11ClF2O — CID 83855034

IUPAC2-cyclohexyl-2,2-difluoroacetyl chloride
SMILESO=C(Cl)C(F)(F)C1CCCCC1
InChIInChI=1S/C8H11ClF2O/c9-7(12)8(10,11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIEHZGTMESCPWFV-UHFFFAOYSA-N
MW196.62 g/mol
LogP2.97
Rot. Bonds2

About 2-cyclohexyl-2,2-difluoroacetyl chloride

2-cyclohexyl-2,2-difluoroacetyl chloride (PubChem CID 83855034) has the molecular formula C8H11ClF2O and a molecular weight of 196.62 g/mol. Its IUPAC name is 2-cyclohexyl-2,2-difluoroacetyl chloride.

Molecular Properties

Compound Name2-cyclohexyl-2,2-difluoroacetyl chloride
PubChem CID83855034
Molecular FormulaC8H11ClF2O
Molecular Weight196.62 g/mol
Exact Mass196.05
IUPAC Name2-cyclohexyl-2,2-difluoroacetyl chloride
SMILESO=C(Cl)C(F)(F)C1CCCCC1
InChIInChI=1S/C8H11ClF2O/c9-7(12)8(10,11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyIEHZGTMESCPWFV-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.62
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-2,2-difluoroacetyl chloride 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 2-cyclohexyl-2,2-difluoroacetyl chloride?
The IUPAC name of 2-cyclohexyl-2,2-difluoroacetyl chloride (CID 83855034) is 2-cyclohexyl-2,2-difluoroacetyl chloride.
What is the SMILES notation for 2-cyclohexyl-2,2-difluoroacetyl chloride?
The canonical SMILES for 2-cyclohexyl-2,2-difluoroacetyl chloride is O=C(Cl)C(F)(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,2-difluoroacetyl chloride?
The InChIKey is IEHZGTMESCPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2O/c9-7(12)8(10,11)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2-cyclohexyl-2,2-difluoroacetyl chloride?
2-cyclohexyl-2,2-difluoroacetyl chloride has a molecular weight of 196.62 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,2-difluoroacetyl chloride is sourced from PubChem (CID 83855034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).