4-fluoro-1-methylpiperidine-4-carbonyl chloride

C7H11ClFNO — CID 21050390

IUPAC4-fluoro-1-methylpiperidine-4-carbonyl chloride
SMILESCN1CCC(F)(C(=O)Cl)CC1
InChIInChI=1S/C7H11ClFNO/c1-10-4-2-7(9,3-5-10)6(8)11/h2-5H2,1H3
InChIKeyZJBAODMZGKFLOD-UHFFFAOYSA-N
MW179.62 g/mol
LogP1.19
Rot. Bonds1

About 4-fluoro-1-methylpiperidine-4-carbonyl chloride

4-fluoro-1-methylpiperidine-4-carbonyl chloride (PubChem CID 21050390) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 4-fluoro-1-methylpiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name4-fluoro-1-methylpiperidine-4-carbonyl chloride
PubChem CID21050390
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name4-fluoro-1-methylpiperidine-4-carbonyl chloride
SMILESCN1CCC(F)(C(=O)Cl)CC1
InChIInChI=1S/C7H11ClFNO/c1-10-4-2-7(9,3-5-10)6(8)11/h2-5H2,1H3
InChIKeyZJBAODMZGKFLOD-UHFFFAOYSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpiperidine-4-carbonyl chloride?
The IUPAC name of 4-fluoro-1-methylpiperidine-4-carbonyl chloride (CID 21050390) is 4-fluoro-1-methylpiperidine-4-carbonyl chloride.
What is the SMILES notation for 4-fluoro-1-methylpiperidine-4-carbonyl chloride?
The canonical SMILES for 4-fluoro-1-methylpiperidine-4-carbonyl chloride is CN1CCC(F)(C(=O)Cl)CC1.
What is the InChIKey of 4-fluoro-1-methylpiperidine-4-carbonyl chloride?
The InChIKey is ZJBAODMZGKFLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c1-10-4-2-7(9,3-5-10)6(8)11/h2-5H2,1H3.
What are the key properties of 4-fluoro-1-methylpiperidine-4-carbonyl chloride?
4-fluoro-1-methylpiperidine-4-carbonyl chloride has a molecular weight of 179.62 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpiperidine-4-carbonyl chloride is sourced from PubChem (CID 21050390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).