chempirical

Trifluorotoluene

C7H5F3CAS 98-08-8146.11 g/mol

Open in Covalent MOL file
FFF
Alkyl halide

Properties

Molecular formula
C7H5F3
Molar mass
146.11 g/mol
Exact mass
146.0343 Da
Density
1.1886 g/mL (at 20 °C)
Melting point
−29.05 °C
Boiling point
103.46 °C
logP
2.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
98-08-8
SMILES
FC(F)(F)c1ccccc1
InChIKey
GETTZEONDQJALK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzene, (trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-
  • Toluene, α-trifluoro-
  • (Trifluoromethyl)benzene
  • Benzotrifluoride
  • Phenylfluoroform
  • α,α,α-Trifluorotoluene
  • Benzenyl fluoride
  • Benzylidyne fluoride
  • 1′,1′,1′-Trifluorotoluene
  • Oxsol 2000
  • UN 238
  • NSC 8038
  • Trifluoro(phenyl)methane
  • (1,1′,1′′-Trifluoromethyl)benzene

Work with Trifluorotoluene

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)benzene433-19-269 % similar 3,5-Bis(trifluoromethyl)benzene402-31-363 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-654 % similar 4′-Trifluoromethylbenzophenone728-86-954 % similar 1,2-Bis(trifluoromethyl)benzene433-95-453 % similar 4-(Trifluoromethyl)pyridine3796-24-552 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 3-Fluorobenzotrifluoride401-80-952 % similar

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

Same formula

1,2,5-Trifluoro-3-methylbenzene132992-29-1

Elsewhere

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