4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

C8H3BrF4O2 — CID 19358335

IUPAC4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(Br)c(C(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
InChIKeyPHLNXVHMVADJBE-UHFFFAOYSA-N
MW287.01 g/mol
LogP3.31
Rot. Bonds1

About 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid (PubChem CID 19358335) has the molecular formula C8H3BrF4O2 and a molecular weight of 287.01 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
PubChem CID19358335
Molecular FormulaC8H3BrF4O2
Molecular Weight287.01 g/mol
Exact Mass285.93
IUPAC Name4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(Br)c(C(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
InChIKeyPHLNXVHMVADJBE-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.01
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic 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

1-[4-bromo-2-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 163339150
4-bromo-2-methyl-3-(trifluoromethyl)benzoic acid
CID 121344753
4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753
3-borono-4-bromo-2-fluorobenzoic acid
CID 162421087
4-chloro-3-fluoro-2-(trifluoromethyl)benzoic acid
CID 54115095
methyl 4-bromo-3-fluoro-2-(trifluoromethyl)benzoate
CID 67352846
1-[4-bromo-3-fluoro-2-(trifluoromethyl)phenyl]-2-chloroethanone
CID 171001615
1-[4-bromo-2-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171007551
2-amino-4-bromo-3-fluorobenzoic acid;ethane
CID 170732130
4-bromo-2-(bromomethyl)-3-fluorobenzoic acid
CID 99769919
6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CID 10171656
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid (CID 19358335) is 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(Br)c(C(F)(F)F)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
The InChIKey is PHLNXVHMVADJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid has a molecular weight of 287.01 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 19358335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).