chempirical

Pentafluorobenzene

C6HF5CAS 363-72-4168.07 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C6HF5
Molar mass
168.07 g/mol
Exact mass
167.9998 Da
Density
1.511 g/mL (at 23.8 °C)
Melting point
−47.3 °C
Boiling point
85.7 °C
logP
2.38Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
363-72-4
SMILES
Fc1cc(F)c(F)c(F)c1F
InChIKey
WACNXHCZHTVBJM-UHFFFAOYSA-N
InChI
InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,3,4,5-pentafluoro-
  • Benzene, pentafluoro-
  • 1,2,3,4,5-Pentafluorobenzene
  • NSC 88293

Work with Pentafluorobenzene

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

2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-169 % similar 1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-560 % similar 2,3,4,6-Tetrafluorobenzenamine363-73-560 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-258 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-458 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-458 % similar 2,3,5,6-Tetrafluorophenol769-39-158 % similar 2,3,5,6-Tetrafluorothiophenol769-40-458 % similar

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

Elsewhere

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