4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid

C15H11F3O2 — CID 107333213

IUPAC4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3O2/c1-9-2-4-10(5-3-9)11-6-7-12(14(19)20)13(8-11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyCLLLWZAPKQTFDA-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.38
Rot. Bonds2

About 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid

4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 107333213) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
PubChem CID107333213
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3O2/c1-9-2-4-10(5-3-9)11-6-7-12(14(19)20)13(8-11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyCLLLWZAPKQTFDA-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dimethylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333245
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzoic acid
CID 63515253
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 2775606
6-methylazulene-2-carboxylic acid
CID 57055895
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
[4-carboxy-3-(trifluoromethyl)phenyl]-trimethylazanium
CID 87200170

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid (CID 107333213) is 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid is Cc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is CLLLWZAPKQTFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-9-2-4-10(5-3-9)11-6-7-12(14(19)20)13(8-11)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid?
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 280.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 107333213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).