1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one

C10H9ClFNO — CID 43314852

IUPAC1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C10H9ClFNO/c11-9-5-7(1-2-10(9)12)13-4-3-8(14)6-13/h1-2,5H,3-4,6H2
InChIKeyUCPMBVFQQHHUAW-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.26
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one

1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one (PubChem CID 43314852) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one
PubChem CID43314852
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C10H9ClFNO/c11-9-5-7(1-2-10(9)12)13-4-3-8(14)6-13/h1-2,5H,3-4,6H2
InChIKeyUCPMBVFQQHHUAW-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-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-(3-chloro-4-fluorophenyl)pyrrolidin-3-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one (CID 43314852) is 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one is O=C1CCN(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one?
The InChIKey is UCPMBVFQQHHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-9-5-7(1-2-10(9)12)13-4-3-8(14)6-13/h1-2,5H,3-4,6H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one?
1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one has a molecular weight of 213.64 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)pyrrolidin-3-one is sourced from PubChem (CID 43314852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).