2-[4-(trifluoromethyl)benzoyl]benzoic acid

C15H9F3O3 — CID 591038

IUPAC2-[4-(trifluoromethyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h1-8H,(H,20,21)
InChIKeyWTUHFTDBRBCODT-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.63
Rot. Bonds3

About 2-[4-(trifluoromethyl)benzoyl]benzoic acid

2-[4-(trifluoromethyl)benzoyl]benzoic acid (PubChem CID 591038) has the molecular formula C15H9F3O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)benzoyl]benzoic acid
PubChem CID591038
Molecular FormulaC15H9F3O3
Molecular Weight294.23 g/mol
Exact Mass294.05
IUPAC Name2-[4-(trifluoromethyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h1-8H,(H,20,21)
InChIKeyWTUHFTDBRBCODT-UHFFFAOYSA-N
XLogP3.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)benzoyl]benzoic acid?
The IUPAC name of 2-[4-(trifluoromethyl)benzoyl]benzoic acid (CID 591038) is 2-[4-(trifluoromethyl)benzoyl]benzoic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)benzoyl]benzoic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)benzoyl]benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)benzoyl]benzoic acid?
The InChIKey is WTUHFTDBRBCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O3/c16-15(17,18)10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(20)21/h1-8H,(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)benzoyl]benzoic acid?
2-[4-(trifluoromethyl)benzoyl]benzoic acid has a molecular weight of 294.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)benzoyl]benzoic acid is sourced from PubChem (CID 591038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).