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

C14H8F4O2 — CID 172648591

IUPAC2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(C(F)(F)F)cc1-c1ccccc1F
InChIInChI=1S/C14H8F4O2/c15-12-4-2-1-3-9(12)11-7-8(14(16,17)18)5-6-10(11)13(19)20/h1-7H,(H,19,20)
InChIKeyKAXCUYVAJYGCDX-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.21
Rot. Bonds2

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

2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid (PubChem CID 172648591) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
PubChem CID172648591
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(C(F)(F)F)cc1-c1ccccc1F
InChIInChI=1S/C14H8F4O2/c15-12-4-2-1-3-9(12)11-7-8(14(16,17)18)5-6-10(11)13(19)20/h1-7H,(H,19,20)
InChIKeyKAXCUYVAJYGCDX-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322333
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
3-(2-fluorophenyl)naphthalene-2-carboxylic acid
CID 171127463
2-fluoro-4-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755421
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
4-(2-fluorophenyl)phthalic acid
CID 71119653
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
5-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
CID 83810706
2-(5-formyl-1-methylpyrazol-4-yl)-4-(trifluoromethyl)benzoic acid
CID 89326336

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid (CID 172648591) is 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(C(F)(F)F)cc1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
The InChIKey is KAXCUYVAJYGCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-12-4-2-1-3-9(12)11-7-8(14(16,17)18)5-6-10(11)13(19)20/h1-7H,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid?
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid has a molecular weight of 284.21 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 172648591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).