chempirical

2,3,4,5,6-Pentafluorotoluene

C7H3F5CAS 771-56-2182.09 g/mol

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Aryl halide

Properties

Molecular formula
C7H3F5
Molar mass
182.09 g/mol
Exact mass
182.0155 Da
Melting point
−29.8 °C
Boiling point
117.5 °C
logP
2.69Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
771-56-2
SMILES
Cc1c(F)c(F)c(F)c(F)c1F
InChIKey
SXPRVMIZFRCAGC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1,2,3,4,5-pentafluoro-6-methyl-
  • Toluene, 2,3,4,5,6-pentafluoro-
  • Benzene, pentafluoromethyl-
  • 1,2,3,4,5-Pentafluoro-6-methylbenzene
  • Methylpentafluorobenzene
  • NSC 88285
  • Pentafluoro(methyl)benzene

Work with 2,3,4,5,6-Pentafluorotoluene

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

1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-453 % similar 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-752 % similar Hexafluorobenzene392-56-350 % similar Octafluoronaphthalene313-72-440 % similar Decafluorobiphenyl434-90-240 % similar Bis(pentafluorophenyl)dimethylsilane10536-62-637 % similar Trimethyl(pentafluorophenyl)silane1206-46-837 % similar Bromopentafluorobenzene344-04-735 % similar

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

Same formula

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-2 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-4 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-5

Elsewhere

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