chempirical

Perfluorobutyl iodide

C4F9ICAS 423-39-2345.93 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4F9I
Molar mass
345.93 g/mol
Exact mass
345.8901 Da
Melting point
−68 °C
Boiling point
67 °C
logP
3.85Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
423-39-2
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
PGRFXXCKHGIFSV-UHFFFAOYSA-N
InChI
InChI=1S/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14

Weigh it out

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

Names and synonyms

12 names
  • Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-
  • Butane, nonafluoro-1-iodo-
  • 1,1,1,2,2,3,3,4,4-Nonafluoro-4-iodobutane
  • Nonafluorobutyl iodide
  • 1-Iodoperfluorobutane
  • Nonafluoro-1-iodobutane
  • 1-Iodononafluorobutane
  • Perfluoro-n-butyl iodide
  • 1,1,2,2,3,3,4,4,4-Nonafluoro-1-iodobutane
  • 4-Iodoperfluorobutane
  • Nonafluoro-n-butyl iodide
  • 1-Iodo-1,1,2,2,3,3,4,4,4-nonafluorobutane

Work with Perfluorobutyl iodide

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane335-58-094 % similar Perfluorohexyl iodide355-43-194 % similar Perfluorodecyl iodide423-62-194 % similar Perfluorooctyl iodide507-63-194 % similar Perfluoropropyl iodide754-34-782 % similar 1,4-Diiodoperfluorobutane375-50-875 % similar 1,8-Diiodoperfluorooctane335-70-671 % similar 1,6-Diiodoperfluorohexane375-80-471 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook