4,4-difluoropiperidine-1-carbonyl chloride

C6H8ClF2NO — CID 55263424

IUPAC4,4-difluoropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(F)(F)CC1
InChIInChI=1S/C6H8ClF2NO/c7-5(11)10-3-1-6(8,9)2-4-10/h1-4H2
InChIKeyRPHJHOPWXUSUTF-UHFFFAOYSA-N
MW183.58 g/mol
LogP2.08
Rot. Bonds

About 4,4-difluoropiperidine-1-carbonyl chloride

4,4-difluoropiperidine-1-carbonyl chloride (PubChem CID 55263424) has the molecular formula C6H8ClF2NO and a molecular weight of 183.58 g/mol. Its IUPAC name is 4,4-difluoropiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4,4-difluoropiperidine-1-carbonyl chloride
PubChem CID55263424
Molecular FormulaC6H8ClF2NO
Molecular Weight183.58 g/mol
Exact Mass183.03
IUPAC Name4,4-difluoropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(F)(F)CC1
InChIInChI=1S/C6H8ClF2NO/c7-5(11)10-3-1-6(8,9)2-4-10/h1-4H2
InChIKeyRPHJHOPWXUSUTF-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.58
LogP ≤ 52.08
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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Related Compounds

1-Piperidinecarbonyl chloride
CID 242085
1-Trifluoroacetyl piperidine
CID 5181830
4-(Trifluoromethyl)piperidine-1-carbonyl chloride
CID 79887081
2-(Trifluoromethyl)piperidine-1-carbonyl chloride
CID 138684402
3,3-Difluoropiperidine-1-carbonyl chloride
CID 116991545
4-(Difluoromethyl)piperidine-1-carbonyl chloride
CID 126995207
4-Fluoro-4-methylpiperidine-1-carbonyl chloride
CID 154577300
2,2-Difluoro-1-(1-Piperidinyl)Ethanone
CID 45080759
4,4-Difluoropiperidin-1-ylmethanone
CID 57455263
4-(Fluoromethyl)piperidine-1-carbonyl chloride
CID 86672026
4-(1,1-Difluoroethyl)piperidine-1-carbonyl chloride
CID 87425334
3,3-Difluoropiperidine-1-carbaldehyde
CID 87513186

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-1-carbonyl chloride?
The IUPAC name of 4,4-difluoropiperidine-1-carbonyl chloride (CID 55263424) is 4,4-difluoropiperidine-1-carbonyl chloride.
What is the SMILES notation for 4,4-difluoropiperidine-1-carbonyl chloride?
The canonical SMILES for 4,4-difluoropiperidine-1-carbonyl chloride is O=C(Cl)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidine-1-carbonyl chloride?
The InChIKey is RPHJHOPWXUSUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO/c7-5(11)10-3-1-6(8,9)2-4-10/h1-4H2.
What are the key properties of 4,4-difluoropiperidine-1-carbonyl chloride?
4,4-difluoropiperidine-1-carbonyl chloride has a molecular weight of 183.58 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-1-carbonyl chloride is sourced from PubChem (CID 55263424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).