2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid

C15H8F6O2 — CID 87086730

IUPAC2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C15H8F6O2/c16-14(17,18)10-3-1-2-8(6-10)9-4-5-11(13(22)23)12(7-9)15(19,20)21/h1-7H,(H,22,23)
InChIKeyFLRWASHPRBPGJM-UHFFFAOYSA-N
MW334.22 g/mol
LogP5.09
Rot. Bonds2

About 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid

2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 87086730) has the molecular formula C15H8F6O2 and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
PubChem CID87086730
Molecular FormulaC15H8F6O2
Molecular Weight334.22 g/mol
Exact Mass334.04
IUPAC Name2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C15H8F6O2/c16-14(17,18)10-3-1-2-8(6-10)9-4-5-11(13(22)23)12(7-9)15(19,20)21/h1-7H,(H,22,23)
InChIKeyFLRWASHPRBPGJM-UHFFFAOYSA-N
XLogP5.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
4-(3-azidophenyl)-2-(trifluoromethyl)benzoic acid
CID 155436745
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid
CID 166784470
5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
CID 167719114
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
CID 91900847
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid (CID 87086730) is 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid is O=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is FLRWASHPRBPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6O2/c16-14(17,18)10-3-1-2-8(6-10)9-4-5-11(13(22)23)12(7-9)15(19,20)21/h1-7H,(H,22,23).
What are the key properties of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid?
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 334.22 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 87086730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).