1-fluoropiperidin-2-one

C5H8FNO — CID 14594959

IUPAC1-fluoropiperidin-2-one
SMILESO=C1CCCCN1F
InChIInChI=1S/C5H8FNO/c6-7-4-2-1-3-5(7)8/h1-4H2
InChIKeyZDRYFXMFPAXUPL-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.88
Rot. Bonds

About 1-fluoropiperidin-2-one

1-fluoropiperidin-2-one (PubChem CID 14594959) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 1-fluoropiperidin-2-one.

Molecular Properties

Compound Name1-fluoropiperidin-2-one
PubChem CID14594959
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name1-fluoropiperidin-2-one
SMILESO=C1CCCCN1F
InChIInChI=1S/C5H8FNO/c6-7-4-2-1-3-5(7)8/h1-4H2
InChIKeyZDRYFXMFPAXUPL-UHFFFAOYSA-N
XLogP0.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropiperidin-2-one?
The IUPAC name of 1-fluoropiperidin-2-one (CID 14594959) is 1-fluoropiperidin-2-one.
What is the SMILES notation for 1-fluoropiperidin-2-one?
The canonical SMILES for 1-fluoropiperidin-2-one is O=C1CCCCN1F.
What is the InChIKey of 1-fluoropiperidin-2-one?
The InChIKey is ZDRYFXMFPAXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-7-4-2-1-3-5(7)8/h1-4H2.
What are the key properties of 1-fluoropiperidin-2-one?
1-fluoropiperidin-2-one has a molecular weight of 117.12 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropiperidin-2-one is sourced from PubChem (CID 14594959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).