4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid

C8H3BrClF3O2 — CID 171001263

IUPAC4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H3BrClF3O2/c9-6-4(8(11,12)13)1-3(7(14)15)2-5(6)10/h1-2H,(H,14,15)
InChIKeyYJCJPIYCHDOBCK-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.82
Rot. Bonds1

About 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid

4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid (PubChem CID 171001263) has the molecular formula C8H3BrClF3O2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid
PubChem CID171001263
Molecular FormulaC8H3BrClF3O2
Molecular Weight303.46 g/mol
Exact Mass301.90
IUPAC Name4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H3BrClF3O2/c9-6-4(8(11,12)13)1-3(7(14)15)2-5(6)10/h1-2H,(H,14,15)
InChIKeyYJCJPIYCHDOBCK-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dibromo-5-chlorobenzoic acid
CID 81429193
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
4-[4-carboxy-2,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzoic acid
CID 59002552
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561557
4-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
CID 22137841
3-bromo-4-chloro-5-(trifluoromethyl)benzamide
CID 146676133
methyl 3,4-dichloro-5-(trifluoromethyl)benzoate
CID 167314119
4-[(Z)-3-(4-bromo-3,5-dichlorophenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)benzoic acid
CID 130236224
1-[3,4-dibromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 175185257
sodium 3,4,5-trichlorobenzoic acid
CID 155920302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid (CID 171001263) is 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(Cl)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid?
The InChIKey is YJCJPIYCHDOBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClF3O2/c9-6-4(8(11,12)13)1-3(7(14)15)2-5(6)10/h1-2H,(H,14,15).
What are the key properties of 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid?
4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid has a molecular weight of 303.46 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 171001263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).