chempirical

1,6-Diiodoperfluorohexane

C6F12I2CAS 375-80-4553.86 g/mol

Open in Covalent MOL file
FFIFFFFFFFFFFI
Alkyl halide

Properties

Molecular formula
C6F12I2
Molar mass
553.86 g/mol
Exact mass
553.7898 Da
Melting point
25 °C
Boiling point
102 °C (at 62 Torr)
logP
5.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
375-80-4
SMILES
FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
JOQDDLBOAIKFQX-UHFFFAOYSA-N
InChI
InChI=1S/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20

Weigh it out

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

Names and synonyms

7 names
  • Hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodo-
  • Hexane, dodecafluoro-1,6-diiodo-
  • 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1,6-diiodohexane
  • 1,6-Diiodododecafluorohexane
  • Dodecafluoro-1,6-diiodohexane
  • α,ω-Diiodoperfluorohexane
  • 1,6-Iododecafluorohexane

Work with 1,6-Diiodoperfluorohexane

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

1,8-Diiodoperfluorooctane335-70-6100 % similar 1,4-Diiodoperfluorobutane375-50-892 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane335-58-076 % similar Perfluorohexyl iodide355-43-176 % similar Perfluorodecyl iodide423-62-176 % similar Perfluorooctyl iodide507-63-176 % similar Perfluorobutyl iodide423-39-271 % similar 1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane3486-08-665 % similar

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

Elsewhere

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