4-fluoropiperidin-3-one

C5H8FNO — CID 84716539

IUPAC4-fluoropiperidin-3-one
SMILESO=C1CNCCC1F
InChIInChI=1S/C5H8FNO/c6-4-1-2-7-3-5(4)8/h4,7H,1-3H2
InChIKeyGVOGBXCGNJMZME-UHFFFAOYSA-N
MW117.12 g/mol
LogP-0.11
Rot. Bonds

About 4-fluoropiperidin-3-one

4-fluoropiperidin-3-one (PubChem CID 84716539) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 4-fluoropiperidin-3-one.

Molecular Properties

Compound Name4-fluoropiperidin-3-one
PubChem CID84716539
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name4-fluoropiperidin-3-one
SMILESO=C1CNCCC1F
InChIInChI=1S/C5H8FNO/c6-4-1-2-7-3-5(4)8/h4,7H,1-3H2
InChIKeyGVOGBXCGNJMZME-UHFFFAOYSA-N
XLogP-0.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoropiperidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoropiperidin-3-one?
The IUPAC name of 4-fluoropiperidin-3-one (CID 84716539) is 4-fluoropiperidin-3-one.
What is the SMILES notation for 4-fluoropiperidin-3-one?
The canonical SMILES for 4-fluoropiperidin-3-one is O=C1CNCCC1F.
What is the InChIKey of 4-fluoropiperidin-3-one?
The InChIKey is GVOGBXCGNJMZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-4-1-2-7-3-5(4)8/h4,7H,1-3H2.
What are the key properties of 4-fluoropiperidin-3-one?
4-fluoropiperidin-3-one has a molecular weight of 117.12 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropiperidin-3-one is sourced from PubChem (CID 84716539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).