1-(2-fluoroacetyl)piperidine-4-carbonyl chloride

C8H11ClFNO2 — CID 58282561

IUPAC1-(2-fluoroacetyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(C(=O)CF)CC1
InChIInChI=1S/C8H11ClFNO2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5H2
InChIKeyABMAMPDQMVBEPD-UHFFFAOYSA-N
MW207.63 g/mol
LogP0.96
Rot. Bonds2

About 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride

1-(2-fluoroacetyl)piperidine-4-carbonyl chloride (PubChem CID 58282561) has the molecular formula C8H11ClFNO2 and a molecular weight of 207.63 g/mol. Its IUPAC name is 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroacetyl)piperidine-4-carbonyl chloride
PubChem CID58282561
Molecular FormulaC8H11ClFNO2
Molecular Weight207.63 g/mol
Exact Mass207.05
IUPAC Name1-(2-fluoroacetyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(C(=O)CF)CC1
InChIInChI=1S/C8H11ClFNO2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5H2
InChIKeyABMAMPDQMVBEPD-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.63
LogP ≤ 50.96
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 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride (CID 58282561) is 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride is O=C(Cl)C1CCN(C(=O)CF)CC1.
What is the InChIKey of 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride?
The InChIKey is ABMAMPDQMVBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFNO2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5H2.
What are the key properties of 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride?
1-(2-fluoroacetyl)piperidine-4-carbonyl chloride has a molecular weight of 207.63 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroacetyl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 58282561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).