chempirical

Perfluorotoluene

C7F8CAS 434-64-0236.06 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halide

Properties

Molecular formula
C7F8
Molar mass
236.06 g/mol
Exact mass
235.9872 Da
Density
1.66 g/mL (at 25 °C)
Melting point
−65.6 °C
Boiling point
104.5 °C
logP
3.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
434-64-0
SMILES
Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIKey
USPWUOFNOTUBAD-UHFFFAOYSA-N
InChI
InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)-
  • Toluene, octafluoro-
  • Benzene, pentafluoro(trifluoromethyl)-
  • 1,2,3,4,5-Pentafluoro-6-(trifluoromethyl)benzene
  • Octafluorotoluene
  • (Trifluoromethyl)pentafluorobenzene
  • Pentafluorobenzotrifluoride
  • Pentafluoro(trifluoromethyl)benzene
  • 1-Trifluoromethyl-2,3,4,5,6-pentafluorobenzene
  • NSC 88302

Work with Perfluorotoluene

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

[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine1868-85-559 % similar Hexafluorobenzene392-56-343 % similar 1,2,3,4-Tetrafluoro-5-(trifluoromethyl)benzene654-53-540 % similar 1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-038 % similar Octafluoronaphthalene313-72-435 % similar Decafluorobiphenyl434-90-235 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-735 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-735 % similar

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

Elsewhere

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