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

C8H3BrF4O2 — CID 10171656

IUPAC6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1c(Br)ccc(C(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O2/c9-4-2-1-3(8(11,12)13)6(10)5(4)7(14)15/h1-2H,(H,14,15)
InChIKeyIFMFJFGMOSTGLZ-UHFFFAOYSA-N
MW287.01 g/mol
LogP3.31
Rot. Bonds1

About 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid (PubChem CID 10171656) has the molecular formula C8H3BrF4O2 and a molecular weight of 287.01 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
PubChem CID10171656
Molecular FormulaC8H3BrF4O2
Molecular Weight287.01 g/mol
Exact Mass285.93
IUPAC Name6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1c(Br)ccc(C(F)(F)F)c1F
InChIInChI=1S/C8H3BrF4O2/c9-4-2-1-3(8(11,12)13)6(10)5(4)7(14)15/h1-2H,(H,14,15)
InChIKeyIFMFJFGMOSTGLZ-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 6-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

ethyl 6-bromo-2-fluoro-3-(trifluoromethyl)benzoate
CID 137345888
6-bromo-2-fluoro-3-(hydroxymethyl)benzoic acid
CID 118186597
3-bromo-6-fluorophthalic acid
CID 164890532
4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CID 19358335
2,3,6-tribromobenzoic acid
CID 10948351
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536
1-[2-fluoro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171012571
1-[2-bromo-3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 171007497
7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457533
1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
CID 130758378
6-bromo-2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 171002482
2-acetyl-3-fluoro-4-(trifluoromethyl)benzaldehyde
CID 171015628

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid (CID 10171656) is 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid is O=C(O)c1c(Br)ccc(C(F)(F)F)c1F.
What is the InChIKey of 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
The InChIKey is IFMFJFGMOSTGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O2/c9-4-2-1-3(8(11,12)13)6(10)5(4)7(14)15/h1-2H,(H,14,15).
What are the key properties of 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid?
6-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 6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 10171656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).