chempirical

4'-Trifluoromethyl-biphenyl-3-carboxylic acid

C14H9F3O2CAS 199528-28-4266.22 g/mol

Open in Covalent MOL file
OOHFFF
Alkyl halideCarboxylic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
199528-28-4
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F
InChIKey
BJKGBAVGLRYCTK-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)

Weigh it out

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Work with 4'-Trifluoromethyl-biphenyl-3-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

3-(Trifluoromethyl)benzoic acid454-92-269 % similar 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-366 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-766 % similar 4'-Chloro-biphenyl-3-carboxylic acid4655-10-163 % similar 4-(Trifluoromethyl)benzoic acid455-24-363 % similar 4'-Methylbiphenyl-3-carboxylic acid147404-69-162 % similar 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-361 % similar 4'-Methoxy-biphenyl-3-carboxylic acid725-05-357 % 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 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-9 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-6 4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione893-33-4

Elsewhere

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