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

C14H8F4O2 — CID 52984137

IUPAC4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F4O2/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)14(16,17)18/h1-7H,(H,19,20)
InChIKeyXPQTUZLHWCZPGC-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.21
Rot. Bonds2

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

4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 52984137) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
PubChem CID52984137
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F4O2/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)14(16,17)18/h1-7H,(H,19,20)
InChIKeyXPQTUZLHWCZPGC-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

4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
4-fluoro-3-(3-propan-2-ylphenyl)benzoic acid
CID 175665590
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 68949773
4-ethynyl-1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 155288738
7-[3-(trifluoromethyl)phenyl]-1-benzothiophene-5-carboxylic acid
CID 14054335

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid (CID 52984137) is 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid is O=C(O)c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is XPQTUZLHWCZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-12-5-4-9(13(19)20)7-11(12)8-2-1-3-10(6-8)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid?
4-fluoro-3-[3-(trifluoromethyl)phenyl]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 4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 52984137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).