chempirical

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

C8H4F13ICAS 2043-57-4474.00 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C8H4F13I
Molar mass
474.00 g/mol
Exact mass
473.9150 Da
Boiling point
180 °C
logP
5.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
2043-57-4
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
InChIKey
NVVZEKTVIXIUKW-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2

Weigh it out

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

Names and synonyms

13 names · show all
  • Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-
  • 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl iodide
  • 1-(2-Iodoethyl)tridecafluorohexane
  • 2-(Perfluorohexyl)ethyl iodide
  • 1-Iodo-1H,1H,2H,2H-perfluorooctane
  • 2-Perfluorohexyl-1-iodoethane
  • 1H,1H,2H,2H-Tridecafluorooctyl iodide
  • 1H,1H,2H,2H-Perfluorooctyl iodide
  • 1-Iodo-1H,1H,2H,2H-tridecafluorooctane
  • Perfluorohexylethyl iodide
  • 1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane
  • 1H,1H,2H,2H-Nonafluorohexyl iodide
  • 1-Iodo-2-(perfluorohexyl)ethane

Work with 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-0100 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-1100 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-295 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-663 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol34451-26-857 % similar 2-(Perfluorohexyl)ethanol647-42-757 % similar (Perfluorooctyl)ethanol678-39-757 % similar 2-(Perfluorobutyl)ethanol2043-47-254 % similar

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

Elsewhere

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