5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid

C12H6BrF3O3 — CID 50882489

IUPAC5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C12H6BrF3O3/c13-6-1-2-7(8(5-6)12(14,15)16)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKeyANPYTZAQTYHWEI-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.43
Rot. Bonds2

About 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid

5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid (PubChem CID 50882489) has the molecular formula C12H6BrF3O3 and a molecular weight of 335.08 g/mol. Its IUPAC name is 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid
PubChem CID50882489
Molecular FormulaC12H6BrF3O3
Molecular Weight335.08 g/mol
Exact Mass333.95
IUPAC Name5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C12H6BrF3O3/c13-6-1-2-7(8(5-6)12(14,15)16)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKeyANPYTZAQTYHWEI-UHFFFAOYSA-N
XLogP4.43
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic 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-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanone
CID 55084047
methyl 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 170871893
3-amino-3-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propanoic acid
CID 170872796
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62498917
5-[4-bromo-2-(trifluoromethyl)phenyl]sulfanylfuran-2-carboxylic acid
CID 65483803
3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112648
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 62633836
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 960607
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 62746772
5-[4-bromo-2-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688589

Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid (CID 50882489) is 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1.
What is the InChIKey of 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
The InChIKey is ANPYTZAQTYHWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3O3/c13-6-1-2-7(8(5-6)12(14,15)16)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18).
What are the key properties of 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid?
5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid has a molecular weight of 335.08 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 50882489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).