3-fluoropiperidine-1-carbonyl chloride

C6H9ClFNO — CID 139295840

IUPAC3-fluoropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCC(F)C1
InChIInChI=1S/C6H9ClFNO/c7-6(10)9-3-1-2-5(8)4-9/h5H,1-4H2
InChIKeyKHUUNQUVVXWLPF-UHFFFAOYSA-N
MW165.59 g/mol
LogP1.78
Rot. Bonds

About 3-fluoropiperidine-1-carbonyl chloride

3-fluoropiperidine-1-carbonyl chloride (PubChem CID 139295840) has the molecular formula C6H9ClFNO and a molecular weight of 165.59 g/mol. Its IUPAC name is 3-fluoropiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-fluoropiperidine-1-carbonyl chloride
PubChem CID139295840
Molecular FormulaC6H9ClFNO
Molecular Weight165.59 g/mol
Exact Mass165.04
IUPAC Name3-fluoropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCC(F)C1
InChIInChI=1S/C6H9ClFNO/c7-6(10)9-3-1-2-5(8)4-9/h5H,1-4H2
InChIKeyKHUUNQUVVXWLPF-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.59
LogP ≤ 51.78
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
4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
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
4-Fluoropiperidine-1-carbaldehyde
CID 57455264
4-(Fluoromethyl)piperidine-1-carbonyl chloride
CID 86672026
4-(2-Fluoroethyl)piperidine-1-carbonyl chloride
CID 87425336
2-Fluoropiperidine-1-carbaldehyde
CID 87612053
Piperidine-1-carbonyl fluoride
CID 87612054

Frequently Asked Questions

What is the IUPAC name of 3-fluoropiperidine-1-carbonyl chloride?
The IUPAC name of 3-fluoropiperidine-1-carbonyl chloride (CID 139295840) is 3-fluoropiperidine-1-carbonyl chloride.
What is the SMILES notation for 3-fluoropiperidine-1-carbonyl chloride?
The canonical SMILES for 3-fluoropiperidine-1-carbonyl chloride is O=C(Cl)N1CCCC(F)C1.
What is the InChIKey of 3-fluoropiperidine-1-carbonyl chloride?
The InChIKey is KHUUNQUVVXWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFNO/c7-6(10)9-3-1-2-5(8)4-9/h5H,1-4H2.
What are the key properties of 3-fluoropiperidine-1-carbonyl chloride?
3-fluoropiperidine-1-carbonyl chloride has a molecular weight of 165.59 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropiperidine-1-carbonyl chloride is sourced from PubChem (CID 139295840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).