3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one

C15H20FNO3 — CID 170503893

IUPAC3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CC(F)C2)c(=O)o1
InChIInChI=1S/C15H20FNO3/c1-4-5-9(2)12-6-10(3)13(15(19)20-12)14(18)17-7-11(16)8-17/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyGFOVVZYHADUOGY-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one

3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one (PubChem CID 170503893) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one.

Molecular Properties

Compound Name3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
PubChem CID170503893
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CC(F)C2)c(=O)o1
InChIInChI=1S/C15H20FNO3/c1-4-5-9(2)12-6-10(3)13(15(19)20-12)14(18)17-7-11(16)8-17/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyGFOVVZYHADUOGY-UHFFFAOYSA-N
XLogP2.65
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-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 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The IUPAC name of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one (CID 170503893) is 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one.
What is the SMILES notation for 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The canonical SMILES for 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one is CCCC(C)c1cc(C)c(C(=O)N2CC(F)C2)c(=O)o1.
What is the InChIKey of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The InChIKey is GFOVVZYHADUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-4-5-9(2)12-6-10(3)13(15(19)20-12)14(18)17-7-11(16)8-17/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one has a molecular weight of 281.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one is sourced from PubChem (CID 170503893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).