chempirical

2-Trifluoromethylphenylboronic acid

C7H6BF3O2CAS 1423-27-4189.93 g/mol

Open in Covalent MOL file
HOBHOFFF
Alkyl halideBoronic acid

Properties

Molecular formula
C7H6BF3O2
Molar mass
189.93 g/mol
Exact mass
190.0413 Da
Melting point
106–107 °C
logP
0.39Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1423-27-4
SMILES
OB(O)c1ccccc1C(F)(F)F
InChIKey
JNSBEPKGFVENFS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-[2-(trifluoromethyl)phenyl]-
  • o-Tolueneboronic acid, α,α,α-trifluoro-
  • Boronic acid, [2-(trifluoromethyl)phenyl]-
  • B-[2-(Trifluoromethyl)phenyl]boronic acid
  • 2-Trifluoromethylbenzeneboronic acid

Work with 2-Trifluoromethylphenylboronic 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

2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-258 % similar B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-756 % similar 1,2-Bis(trifluoromethyl)benzene433-95-454 % similar 2-(Trifluoromethyl)phenol444-30-448 % similar 2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-345 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % similar 2-Fluorobenzotrifluoride392-85-845 % similar 2-(Trifluoromethyl)benzenemethanol346-06-544 % similar

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

Same formula

4-(Trifluoromethyl)phenylboronic acid128796-39-4 3-Trifluoromethylphenylboronic acid1423-26-3

Elsewhere

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