1,2-Bis(trifluoromethyl)benzene

C₈H₄F₆CAS 433-95-4214.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₄F₆
Molar mass: 214.11 g/mol
Exact mass: 214.0217 Da
Boiling point: 140–142 °C
logP: 3.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

433-95-4

SMILES

FC(F)(F)c1ccccc1C(F)(F)F

InChIKey

XXZOEDQFGXTEAD-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,2-bis(trifluoromethyl)-
o-Xylene, α,α,α,α′,α′,α′-hexafluoro-
o-Bis(trifluoromethyl)benzene
1,2-Di(trifluoromethyl)benzene
α,α,α,α′,α′,α′-Hexafluoro-o-xylene

Work with 1,2-Bis(trifluoromethyl)benzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2-(trifluoromethyl)benzene392-83-665 % similar 2-Fluorobenzotrifluoride392-85-865 % similar [2-(Trifluoromethyl)phenyl]hydrazine365-34-464 % similar 2-(Trifluoromethyl)benzenethiol13333-97-662 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-862 % similar 1-Iodo-2-(trifluoromethyl)benzene444-29-162 % similar 2-(Trifluoromethyl)phenol444-30-462 % similar 2-Chlorobenzotrifluoride88-16-462 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzene402-31-3 1,4-Bis(trifluoromethyl)benzene433-19-2

Elsewhere

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