1-butyl-4-fluoroazetidin-2-one

C7H12FNO — CID 10057621

IUPAC1-butyl-4-fluoroazetidin-2-one
SMILESCCCCN1C(=O)CC1F
InChIInChI=1S/C7H12FNO/c1-2-3-4-9-6(8)5-7(9)10/h6H,2-5H2,1H3
InChIKeyOSUYHEXWYVXDFV-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.31
Rot. Bonds3

About 1-butyl-4-fluoroazetidin-2-one

1-butyl-4-fluoroazetidin-2-one (PubChem CID 10057621) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-butyl-4-fluoroazetidin-2-one.

Molecular Properties

Compound Name1-butyl-4-fluoroazetidin-2-one
PubChem CID10057621
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-butyl-4-fluoroazetidin-2-one
SMILESCCCCN1C(=O)CC1F
InChIInChI=1S/C7H12FNO/c1-2-3-4-9-6(8)5-7(9)10/h6H,2-5H2,1H3
InChIKeyOSUYHEXWYVXDFV-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butyl-4-fluoroazetidin-2-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 1-butyl-4-fluoroazetidin-2-one?
The IUPAC name of 1-butyl-4-fluoroazetidin-2-one (CID 10057621) is 1-butyl-4-fluoroazetidin-2-one.
What is the SMILES notation for 1-butyl-4-fluoroazetidin-2-one?
The canonical SMILES for 1-butyl-4-fluoroazetidin-2-one is CCCCN1C(=O)CC1F.
What is the InChIKey of 1-butyl-4-fluoroazetidin-2-one?
The InChIKey is OSUYHEXWYVXDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-3-4-9-6(8)5-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 1-butyl-4-fluoroazetidin-2-one?
1-butyl-4-fluoroazetidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-fluoroazetidin-2-one is sourced from PubChem (CID 10057621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).