chempirical

4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid

C14H9F3O2CAS 84392-17-6266.22 g/mol

Open in Covalent MOL file
OHOFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C14H9F3O2
Molar mass
266.22 g/mol
Exact mass
266.0555 Da
Melting point
170 °C
logP
4.07Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
84392-17-6
SMILES
O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIKey
IQOMYCGTGFGDFN-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)

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Names and synonyms

5 names
  • [1,1′-Biphenyl]-2-carboxylic acid, 4′-(trifluoromethyl)-
  • 4′-(Trifluoromethyl)-2-biphenylcarboxylic acid
  • Xenalipin
  • BW 207U
  • 2-(4-Trifluoromethylphenyl)benzoic acid

Work with 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-265 % similar 1-Biphenyl-2-carboxylic acid947-84-265 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-061 % similar 2-(Trifluoromethyl)benzoic acid433-97-657 % similar 4-(Trifluoromethyl)benzoic acid455-24-356 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-753 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-751 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-9 4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione893-33-4

Elsewhere

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