2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid

C15H8F4O4 — CID 173322333

IUPAC2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C15H8F4O4/c16-8-2-4-10(14(22)23)12(6-8)11-5-7(15(17,18)19)1-3-9(11)13(20)21/h1-6H,(H,20,21)(H,22,23)
InChIKeyKFHJIJKARJAOKU-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.91
Rot. Bonds3

About 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid

2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid (PubChem CID 173322333) has the molecular formula C15H8F4O4 and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
PubChem CID173322333
Molecular FormulaC15H8F4O4
Molecular Weight328.22 g/mol
Exact Mass328.04
IUPAC Name2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C15H8F4O4/c16-8-2-4-10(14(22)23)12(6-8)11-5-7(15(17,18)19)1-3-9(11)13(20)21/h1-6H,(H,20,21)(H,22,23)
InChIKeyKFHJIJKARJAOKU-UHFFFAOYSA-N
XLogP3.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
3-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322334
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
2-fluoro-4-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755421
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
2-(5-formyl-1-methylpyrazol-4-yl)-4-(trifluoromethyl)benzoic acid
CID 89326336
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
2-fluoro-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755403
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-ethenyl-4-(trifluoromethyl)benzoic acid
CID 154659502

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid (CID 173322333) is 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(F)cc1-c1cc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
The InChIKey is KFHJIJKARJAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4O4/c16-8-2-4-10(14(22)23)12(6-8)11-5-7(15(17,18)19)1-3-9(11)13(20)21/h1-6H,(H,20,21)(H,22,23).
What are the key properties of 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid has a molecular weight of 328.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 173322333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).