1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one

C10H9BrFNO2 — CID 22909948

IUPAC1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)CCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H9BrFNO2/c11-7-5-6(1-2-8(7)12)13-4-3-9(14)10(13)15/h1-2,5,9,14H,3-4H2
InChIKeyXCRQEIRITCEWCM-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.69
Rot. Bonds1

About 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one

1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 22909948) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one
PubChem CID22909948
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)CCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H9BrFNO2/c11-7-5-6(1-2-8(7)12)13-4-3-9(14)10(13)15/h1-2,5,9,14H,3-4H2
InChIKeyXCRQEIRITCEWCM-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-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 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one (CID 22909948) is 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one is O=C1C(O)CCN1c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is XCRQEIRITCEWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-7-5-6(1-2-8(7)12)13-4-3-9(14)10(13)15/h1-2,5,9,14H,3-4H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one?
1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 274.09 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 22909948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).