1-(fluoromethyl)piperidine-4-carbonyl chloride

C7H11ClFNO — CID 174726081

IUPAC1-(fluoromethyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(CF)CC1
InChIInChI=1S/C7H11ClFNO/c8-7(11)6-1-3-10(5-9)4-2-6/h6H,1-5H2
InChIKeyCSWITHXJBVGKMW-UHFFFAOYSA-N
MW179.62 g/mol
LogP1.39
Rot. Bonds2

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

1-(fluoromethyl)piperidine-4-carbonyl chloride (PubChem CID 174726081) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 1-(fluoromethyl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(fluoromethyl)piperidine-4-carbonyl chloride
PubChem CID174726081
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name1-(fluoromethyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(CF)CC1
InChIInChI=1S/C7H11ClFNO/c8-7(11)6-1-3-10(5-9)4-2-6/h6H,1-5H2
InChIKeyCSWITHXJBVGKMW-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(fluoromethyl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-(fluoromethyl)piperidine-4-carbonyl chloride (CID 174726081) is 1-(fluoromethyl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-(fluoromethyl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-(fluoromethyl)piperidine-4-carbonyl chloride is O=C(Cl)C1CCN(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)piperidine-4-carbonyl chloride?
The InChIKey is CSWITHXJBVGKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c8-7(11)6-1-3-10(5-9)4-2-6/h6H,1-5H2.
What are the key properties of 1-(fluoromethyl)piperidine-4-carbonyl chloride?
1-(fluoromethyl)piperidine-4-carbonyl chloride has a molecular weight of 179.62 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 174726081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).