3-fluoro-1-propan-2-ylpyrrolidin-2-one

C7H12FNO — CID 45088052

IUPAC3-fluoro-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(F)C1=O
InChIInChI=1S/C7H12FNO/c1-5(2)9-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyPGCAYPJPICQULU-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds1

About 3-fluoro-1-propan-2-ylpyrrolidin-2-one

3-fluoro-1-propan-2-ylpyrrolidin-2-one (PubChem CID 45088052) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpyrrolidin-2-one
PubChem CID45088052
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-fluoro-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(F)C1=O
InChIInChI=1S/C7H12FNO/c1-5(2)9-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyPGCAYPJPICQULU-UHFFFAOYSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-1-propan-2-ylpyrrolidin-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-fluoro-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-fluoro-1-propan-2-ylpyrrolidin-2-one (CID 45088052) is 3-fluoro-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(F)C1=O.
What is the InChIKey of 3-fluoro-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PGCAYPJPICQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(2)9-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-ylpyrrolidin-2-one?
3-fluoro-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 45088052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).