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

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • [1,1′-Biphenyl]-2-carboxylic acid, 4′-(trifluoromethyl)-
  • 4′-(Trifluoromethyl)-2-biphenylcarboxylic acid
  • Xenalipin
  • BW 207U
  • 2-(4-Trifluoromethylphenyl)benzoic acid
  • 4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic 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'-Chloro-biphenyl-2-carboxylic acid7079-15-461 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-061 % similar Diphenic acid482-05-358 % similar 2-(Trifluoromethyl)benzoic acid433-97-657 % similar 4-(Trifluoromethyl)benzoic acid455-24-356 % similar 4-(Trifluoromethyl)phthalic acid835-58-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-2 3'-Trifluoromethylbiphenyl-3-carboxylic acid168619-05-4 3'-Trifluoromethylbiphenyl-4-carboxylic acid195457-70-6 4'-Trifluoromethylbiphenyl-4-carboxylic acid195457-71-7 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-7 4'-Trifluoromethyl-biphenyl-3-carboxylic acid199528-28-4 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-9 4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione893-33-4

Elsewhere

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