4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride

C8H12ClF2NO — CID 87425334

IUPAC4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride
SMILESCC(F)(F)C1CCN(C(=O)Cl)CC1
InChIInChI=1S/C8H12ClF2NO/c1-8(10,11)6-2-4-12(5-3-6)7(9)13/h6H,2-5H2,1H3
InChIKeyAZHBCDKWDFIAQZ-UHFFFAOYSA-N
MW211.64 g/mol
LogP2.71
Rot. Bonds1

About 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride

4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride (PubChem CID 87425334) has the molecular formula C8H12ClF2NO and a molecular weight of 211.64 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride
PubChem CID87425334
Molecular FormulaC8H12ClF2NO
Molecular Weight211.64 g/mol
Exact Mass211.06
IUPAC Name4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride
SMILESCC(F)(F)C1CCN(C(=O)Cl)CC1
InChIInChI=1S/C8H12ClF2NO/c1-8(10,11)6-2-4-12(5-3-6)7(9)13/h6H,2-5H2,1H3
InChIKeyAZHBCDKWDFIAQZ-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.64
LogP ≤ 52.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride?
The IUPAC name of 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride (CID 87425334) is 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride?
The canonical SMILES for 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride is CC(F)(F)C1CCN(C(=O)Cl)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride?
The InChIKey is AZHBCDKWDFIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2NO/c1-8(10,11)6-2-4-12(5-3-6)7(9)13/h6H,2-5H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride?
4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride has a molecular weight of 211.64 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 87425334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).