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

C14H8F4O2 — CID 46314102

IUPAC5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2F)ccc1C(F)(F)F
InChIInChI=1S/C14H8F4O2/c15-12-4-2-1-3-9(12)8-5-6-11(14(16,17)18)10(7-8)13(19)20/h1-7H,(H,19,20)
InChIKeyUXBODFVQVKZLTE-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.21
Rot. Bonds2

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

5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 46314102) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
PubChem CID46314102
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2F)ccc1C(F)(F)F
InChIInChI=1S/C14H8F4O2/c15-12-4-2-1-3-9(12)8-5-6-11(14(16,17)18)10(7-8)13(19)20/h1-7H,(H,19,20)
InChIKeyUXBODFVQVKZLTE-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-(2-fluorophenyl)phthalic acid
CID 71119653
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255
4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
CID 46314414
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221712
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid (CID 46314102) is 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid is O=C(O)c1cc(-c2ccccc2F)ccc1C(F)(F)F.
What is the InChIKey of 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is UXBODFVQVKZLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-12-4-2-1-3-9(12)8-5-6-11(14(16,17)18)10(7-8)13(19)20/h1-7H,(H,19,20).
What are the key properties of 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
5-(2-fluorophenyl)-2-(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 5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 46314102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).