4-(3,4-difluorophenyl)pyrrolidin-2-one

C10H9F2NO — CID 21357395

IUPAC4-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(F)c2)CN1
InChIInChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeyWEBXSXICEYKMAI-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.57
Rot. Bonds1

About 4-(3,4-difluorophenyl)pyrrolidin-2-one

4-(3,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 21357395) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)pyrrolidin-2-one
PubChem CID21357395
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name4-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(F)c2)CN1
InChIInChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeyWEBXSXICEYKMAI-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3,4-difluorophenyl)pyrrolidin-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 4-(3,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)pyrrolidin-2-one (CID 21357395) is 4-(3,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)pyrrolidin-2-one is O=C1CC(c2ccc(F)c(F)c2)CN1.
What is the InChIKey of 4-(3,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is WEBXSXICEYKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-8-2-1-6(3-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14).
What are the key properties of 4-(3,4-difluorophenyl)pyrrolidin-2-one?
4-(3,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 197.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 21357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).