chempirical

1-Iodo-1H,1H,2H,2H-perfluorododecane

C12H4F21ICAS 2043-54-1674.03 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C12H4F21I
Molar mass
674.03 g/mol
Exact mass
673.9022 Da
Boiling point
108 °C (at 10 Torr)
logP
8.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
10

Identifiers

CAS number
2043-54-1
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
InChIKey
HVWXRMINOYZYCK-UHFFFAOYSA-N
InChI
InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2

Weigh it out

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

Names and synonyms

9 names
  • Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo-
  • 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluoro-12-iodododecane
  • 1-(2-Iodoethyl)heneicosafluorodecane
  • Perfluorodecylethyl iodide
  • 2-(Perfluorodecyl)ethyl iodide
  • 1-Iodo-2-(perfluorodecanyl)ethane
  • 1H,1H,2H,2H-Perfluorododecyl iodide
  • 1H,1H,2H,2H-Perfluododecyl iodide
  • 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodododecane

Work with 1-Iodo-1H,1H,2H,2H-perfluorododecane

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-iododecane2043-53-0100 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-4100 % 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-(Perfluorodecyl)ethanol865-86-157 % similar

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

Elsewhere

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