chempirical

Pentafluoroiodobenzene

C6F5ICAS 827-15-6293.96 g/mol

Open in Covalent MOL file
FFFIFF
Aryl halide

Properties

Molecular formula
C6F5I
Molar mass
293.96 g/mol
Exact mass
293.8965 Da
Melting point
−29 °C
Boiling point
166 °C
logP
2.99Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
827-15-6
SMILES
Fc1c(F)c(F)c(I)c(F)c1F
InChIKey
OPYHNLNYCRZOGY-UHFFFAOYSA-N
InChI
InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9

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

Names and synonyms

9 names
  • Benzene, 1,2,3,4,5-pentafluoro-6-iodo-
  • Benzene, pentafluoroiodo-
  • 1,2,3,4,5-Pentafluoro-6-iodobenzene
  • Iodopentafluorobenzene
  • Iodoperfluorobenzene
  • 2,3,4,5,6-Pentafluoroiodobenzene
  • Pentafluorophenyl iodide
  • Perfluoroiodobenzene
  • NSC 88306

Work with Pentafluoroiodobenzene

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-Diiodotetrafluorobenzene392-57-492 % similar 1,2,3,4-Tetrafluoro-5,6-diiodobenzene2708-97-685 % similar Hexafluorobenzene392-56-350 % similar Octafluoronaphthalene313-72-440 % similar Decafluorobiphenyl434-90-240 % similar Bromopentafluorobenzene344-04-735 % similar 1,2-Dibromotetrafluorobenzene827-08-735 % similar 1,1′-Thiobis[2,3,4,5,6-pentafluorobenzene]1043-50-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook