4-(difluoromethyl)piperidine-1-carbonyl chloride

C7H10ClF2NO — CID 126995207

IUPAC4-(difluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(C(F)F)CC1
InChIInChI=1S/C7H10ClF2NO/c8-7(12)11-3-1-5(2-4-11)6(9)10/h5-6H,1-4H2
InChIKeyDGJQRNOQXRUXOI-UHFFFAOYSA-N
MW197.61 g/mol
LogP2.32
Rot. Bonds1

About 4-(difluoromethyl)piperidine-1-carbonyl chloride

4-(difluoromethyl)piperidine-1-carbonyl chloride (PubChem CID 126995207) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine-1-carbonyl chloride
PubChem CID126995207
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC Name4-(difluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(C(F)F)CC1
InChIInChI=1S/C7H10ClF2NO/c8-7(12)11-3-1-5(2-4-11)6(9)10/h5-6H,1-4H2
InChIKeyDGJQRNOQXRUXOI-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)piperidine-1-carbonyl 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 4-(difluoromethyl)piperidine-1-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)piperidine-1-carbonyl chloride (CID 126995207) is 4-(difluoromethyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)piperidine-1-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)piperidine-1-carbonyl chloride is O=C(Cl)N1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)piperidine-1-carbonyl chloride?
The InChIKey is DGJQRNOQXRUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c8-7(12)11-3-1-5(2-4-11)6(9)10/h5-6H,1-4H2.
What are the key properties of 4-(difluoromethyl)piperidine-1-carbonyl chloride?
4-(difluoromethyl)piperidine-1-carbonyl chloride has a molecular weight of 197.61 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 126995207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).