3-(4-bromo-2-fluorophenyl)propanoic acid

C9H8BrFO2 — CID 15094533

IUPAC3-(4-bromo-2-fluorophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKeyFLAFQUSRGQNQFJ-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.61
Rot. Bonds3

About 3-(4-bromo-2-fluorophenyl)propanoic acid

3-(4-bromo-2-fluorophenyl)propanoic acid (PubChem CID 15094533) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)propanoic acid
PubChem CID15094533
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name3-(4-bromo-2-fluorophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKeyFLAFQUSRGQNQFJ-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-bromo-2-fluorophenyl)propanoic acid 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-(4-bromo-2-fluorophenyl)propanoic acid?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)propanoic acid (CID 15094533) is 3-(4-bromo-2-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)propanoic acid is O=C(O)CCc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)propanoic acid?
The InChIKey is FLAFQUSRGQNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of 3-(4-bromo-2-fluorophenyl)propanoic acid?
3-(4-bromo-2-fluorophenyl)propanoic acid has a molecular weight of 247.06 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)propanoic acid is sourced from PubChem (CID 15094533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).