chempirical

1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane

C6H4F9ICAS 2043-55-2373.99 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C6H4F9I
Molar mass
373.99 g/mol
Exact mass
373.9214 Da
Boiling point
81 °C (at 100 Torr)
logP
4.28Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
2043-55-2
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
InChIKey
CXHFIVFPHDGZIS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2

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

Names and synonyms

9 names
  • Hexane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-
  • 2-(Perfluorobutyl)ethyl iodide
  • 1-Perfluorobutyl-2-iodoethane
  • 1H,1H,2H,2H-Perfluorohexyl iodide
  • 2-Perfluorobutyl-1-iodoethane
  • 3,3,4,4,5,5,6,6,6-Nonafluorohexyl iodide
  • 1-Iodo-3,3,4,4,5,5,6,6,6-nonafluorohexane
  • 2-(Nonafluorobutyl)ethyl iodide
  • 1-Iodo-2-(perfluorobutyl)ethane

Work with 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane

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 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-iododecane2043-53-095 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-195 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-495 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-665 % similar 2-(Perfluorobutyl)ethanol2043-47-256 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol34451-26-854 % similar 2-(Perfluorohexyl)ethanol647-42-754 % similar (Perfluorooctyl)ethanol678-39-754 % similar

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

Elsewhere

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