chempirical

1-Methyl-3-(trifluoromethyl)benzene

C8H7F3CAS 401-79-6160.14 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
Boiling point
127 °C (at 734 Torr)
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
401-79-6
SMILES
Cc1cccc(C(F)(F)F)c1
InChIKey
VJYXZJGDFJJDGF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-methyl-3-(trifluoromethyl)-
  • m-Xylene, α,α,α-trifluoro-
  • m-(Trifluoromethyl)toluene
  • α,α,α-Trifluoro-m-xylene
  • 3-(Trifluoromethyl)toluene
  • 1-Methyl-3-trifluoromethylbenzene
  • 3-Methylbenzotrifluoride

Work with 1-Methyl-3-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(trifluoromethyl)benzene402-31-365 % similar 3-Fluorobenzotrifluoride401-80-956 % similar Trifluorotoluene98-08-854 % similar M-Xylene108-38-352 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-852 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-552 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-052 % similar 3-(Trifluoromethyl)aniline98-16-852 % similar

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

Same formula

1-Methyl-2-(trifluoromethyl)benzene13630-19-8 1-Methyl-4-(trifluoromethyl)benzene6140-17-6

Elsewhere

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