4-(fluoromethyl)piperidine-1-carbonyl chloride

C7H11ClFNO — CID 86672026

IUPAC4-(fluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(CF)CC1
InChIInChI=1S/C7H11ClFNO/c8-7(11)10-3-1-6(5-9)2-4-10/h6H,1-5H2
InChIKeyMGKAMSVLZTXVAB-UHFFFAOYSA-N
MW179.62 g/mol
LogP2.03
Rot. Bonds1

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

4-(fluoromethyl)piperidine-1-carbonyl chloride (PubChem CID 86672026) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 4-(fluoromethyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(fluoromethyl)piperidine-1-carbonyl chloride
PubChem CID86672026
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name4-(fluoromethyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(CF)CC1
InChIInChI=1S/C7H11ClFNO/c8-7(11)10-3-1-6(5-9)2-4-10/h6H,1-5H2
InChIKeyMGKAMSVLZTXVAB-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 52.03
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

3,5-Dimethylpiperidine-1-carbonyl chloride
CID 22155860
3-Methylpiperidine-1-carbonyl chloride
CID 45081377
4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
4-Ethylpiperidine-1-carbonyl chloride
CID 79886896
4-(Trifluoromethyl)piperidine-1-carbonyl chloride
CID 79887081
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
4-(1,1-Difluoroethyl)piperidine-1-carbonyl chloride
CID 87425334
4-(2-Fluoroethyl)piperidine-1-carbonyl chloride
CID 87425336
3-Methylpiperidine-1-carbonyl fluoride
CID 122592266
3-Fluoropiperidine-1-carbonyl chloride
CID 139295840

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)piperidine-1-carbonyl chloride?
The IUPAC name of 4-(fluoromethyl)piperidine-1-carbonyl chloride (CID 86672026) is 4-(fluoromethyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for 4-(fluoromethyl)piperidine-1-carbonyl chloride?
The canonical SMILES for 4-(fluoromethyl)piperidine-1-carbonyl chloride is O=C(Cl)N1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)piperidine-1-carbonyl chloride?
The InChIKey is MGKAMSVLZTXVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c8-7(11)10-3-1-6(5-9)2-4-10/h6H,1-5H2.
What are the key properties of 4-(fluoromethyl)piperidine-1-carbonyl chloride?
4-(fluoromethyl)piperidine-1-carbonyl chloride has a molecular weight of 179.62 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 86672026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).