3-(3-fluoroazetidin-1-yl)-3-oxopropanamide

C6H9FN2O2 — CID 127012580

IUPAC3-(3-fluoroazetidin-1-yl)-3-oxopropanamide
SMILESNC(=O)CC(=O)N1CC(F)C1
InChIInChI=1S/C6H9FN2O2/c7-4-2-9(3-4)6(11)1-5(8)10/h4H,1-3H2,(H2,8,10)
InChIKeyVPQOXCHGFMGWBE-UHFFFAOYSA-N
MW160.15 g/mol
LogP-0.96
Rot. Bonds2

About 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide

3-(3-fluoroazetidin-1-yl)-3-oxopropanamide (PubChem CID 127012580) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(3-fluoroazetidin-1-yl)-3-oxopropanamide
PubChem CID127012580
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name3-(3-fluoroazetidin-1-yl)-3-oxopropanamide
SMILESNC(=O)CC(=O)N1CC(F)C1
InChIInChI=1S/C6H9FN2O2/c7-4-2-9(3-4)6(11)1-5(8)10/h4H,1-3H2,(H2,8,10)
InChIKeyVPQOXCHGFMGWBE-UHFFFAOYSA-N
XLogP-0.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide 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 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide?
The IUPAC name of 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide (CID 127012580) is 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide?
The canonical SMILES for 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide is NC(=O)CC(=O)N1CC(F)C1.
What is the InChIKey of 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide?
The InChIKey is VPQOXCHGFMGWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2/c7-4-2-9(3-4)6(11)1-5(8)10/h4H,1-3H2,(H2,8,10).
What are the key properties of 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide?
3-(3-fluoroazetidin-1-yl)-3-oxopropanamide has a molecular weight of 160.15 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 127012580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).