4-(4-bromophenyl)-2-fluorobutanoic acid

C10H10BrFO2 — CID 84729590

IUPAC4-(4-bromophenyl)-2-fluorobutanoic acid
SMILESO=C(O)C(F)CCc1ccc(Br)cc1
InChIInChI=1S/C10H10BrFO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6H2,(H,13,14)
InChIKeyQSQNJFOIHOUBFM-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.80
Rot. Bonds4

About 4-(4-bromophenyl)-2-fluorobutanoic acid

4-(4-bromophenyl)-2-fluorobutanoic acid (PubChem CID 84729590) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-fluorobutanoic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-fluorobutanoic acid
PubChem CID84729590
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name4-(4-bromophenyl)-2-fluorobutanoic acid
SMILESO=C(O)C(F)CCc1ccc(Br)cc1
InChIInChI=1S/C10H10BrFO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6H2,(H,13,14)
InChIKeyQSQNJFOIHOUBFM-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-2-fluorobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromophenyl)-2-fluorobutanoic acid
CID 84729589
2-bromo-4-(4-bromophenyl)butanoic acid
CID 84604623
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
1-bromo-4-(4-bromo-3-fluorobutyl)benzene
CID 118947109
2-[(4-bromophenyl)methyl]-4-pyridin-4-ylbutanoic acid
CID 79418139
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
CID 84608477
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-bromophenyl)-2-oxobutanoic acid
CID 82380544
N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide
CID 164670401
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-fluorobutanoic acid?
The IUPAC name of 4-(4-bromophenyl)-2-fluorobutanoic acid (CID 84729590) is 4-(4-bromophenyl)-2-fluorobutanoic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-fluorobutanoic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-fluorobutanoic acid is O=C(O)C(F)CCc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-fluorobutanoic acid?
The InChIKey is QSQNJFOIHOUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6H2,(H,13,14).
What are the key properties of 4-(4-bromophenyl)-2-fluorobutanoic acid?
4-(4-bromophenyl)-2-fluorobutanoic acid has a molecular weight of 261.09 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-fluorobutanoic acid is sourced from PubChem (CID 84729590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).