chempirical

1-Methyl-4-(trifluoromethyl)benzene

C8H7F3CAS 6140-17-6160.14 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
Melting point
129–130 °C
Boiling point
129 °C
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
6140-17-6
SMILES
Cc1ccc(C(F)(F)F)cc1
InChIKey
LRLRAYMYEXQKID-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-methyl-4-(trifluoromethyl)-
  • p-Xylene, α,α,α-trifluoro-
  • α,α,α-Trifluoro-p-xylene
  • p-(Trifluoromethyl)toluene
  • 4-Methylbenzotrifluoride
  • 4-(Trifluoromethyl)toluene
  • 1-(Trifluoromethyl)-4-methylbenzene
  • 4-Methyl-1-(trifluoromethyl)benzene
  • p-Methylbenzotrifluoride

Work with 1-Methyl-4-(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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar 1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[4-methylbenzene]1095-77-858 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 4-tert-Butyltoluene98-51-152 % similar P-Xylene106-42-350 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-750 % similar 4-(Trifluoromethyl)phenol402-45-950 % similar 1-Iodo-4-(trifluoromethyl)benzene455-13-050 % similar

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

Same formula

1-Methyl-2-(trifluoromethyl)benzene13630-19-8 1-Methyl-3-(trifluoromethyl)benzene401-79-6

Elsewhere

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