chempirical

1-Methyl-2-(trifluoromethyl)benzene

C8H7F3CAS 13630-19-8160.14 g/mol

Open in Covalent MOL file
FFF
Alkyl halide

Properties

Molecular formula
C8H7F3
Molar mass
160.14 g/mol
Exact mass
160.0500 Da
Density
1.174 g/mL (at 19 °C)
Melting point
125–126 °C
Boiling point
125–126 °C
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
13630-19-8
SMILES
Cc1ccccc1C(F)(F)F
InChIKey
DVFVNJHIVAPTMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3

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

Names and synonyms

5 names
  • Benzene, 1-methyl-2-(trifluoromethyl)-
  • o-Xylene, α,α,α-trifluoro-
  • 2-(Trifluoromethyl)toluene
  • o-(Trifluoromethyl)toluene
  • 2-Methyl-1-(trifluoromethyl)benzene

Work with 1-Methyl-2-(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

1,2-Bis(trifluoromethyl)benzene433-95-462 % similar 1-Iodo-2-(trifluoromethyl)benzene444-29-154 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-650 % similar 2-Fluorobenzotrifluoride392-85-850 % similar N-Methyl-2-(trifluoromethyl)benzenamine14925-10-148 % similar 1-Ethenyl-2-(trifluoromethyl)benzene395-45-948 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-048 % similar 2-(Trifluoromethyl)benzenethiol13333-97-648 % similar

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

Same formula

1-Methyl-3-(trifluoromethyl)benzene401-79-6 1-Methyl-4-(trifluoromethyl)benzene6140-17-6

Elsewhere

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