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

C20H12F4O2 — CID 46313199

IUPAC2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(C(F)(F)F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C20H12F4O2/c21-14-5-3-4-12(10-14)17-11-13(8-9-18(17)20(22,23)24)15-6-1-2-7-16(15)19(25)26/h1-11H,(H,25,26)
InChIKeyDZSXMEDJRIJHCO-UHFFFAOYSA-N
MW360.31 g/mol
LogP5.88
Rot. Bonds3

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

2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 46313199) has the molecular formula C20H12F4O2 and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
PubChem CID46313199
Molecular FormulaC20H12F4O2
Molecular Weight360.31 g/mol
Exact Mass360.08
IUPAC Name2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(C(F)(F)F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C20H12F4O2/c21-14-5-3-4-12(10-14)17-11-13(8-9-18(17)20(22,23)24)15-6-1-2-7-16(15)19(25)26/h1-11H,(H,25,26)
InChIKeyDZSXMEDJRIJHCO-UHFFFAOYSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.31
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
2-(3-fluorophenyl)benzoate
CID 7022495
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313376
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
4-ethynyl-2-(3-fluorophenyl)-1-(trifluoromethyl)benzene
CID 166642994
3-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322334
5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
CID 19036881
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
2-[6-(4-fluorophenyl)-2-pyridinyl]benzoic acid
CID 90041623
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 133089659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid (CID 46313199) is 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(C(F)(F)F)c(-c2cccc(F)c2)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is DZSXMEDJRIJHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4O2/c21-14-5-3-4-12(10-14)17-11-13(8-9-18(17)20(22,23)24)15-6-1-2-7-16(15)19(25)26/h1-11H,(H,25,26).
What are the key properties of 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid?
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 360.31 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 46313199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).