chempirical

1,8-Diiodoperfluorooctane

C8F16I2CAS 335-70-6653.87 g/mol

Open in Covalent MOL file
FFIFFFFFFFFFFFFFFI
Alkyl halide

Properties

Molecular formula
C8F16I2
Molar mass
653.87 g/mol
Exact mass
653.7834 Da
Melting point
75–76 °C
Boiling point
95–98 °C (at 0.4 Torr)
logP
6.85Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
335-70-6
SMILES
FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
SRDQTCUHAMDAMG-UHFFFAOYSA-N
InChI
InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26

Weigh it out

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

Names and synonyms

5 names
  • Octane, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodo-
  • Octane, hexadecafluoro-1,8-diiodo-
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-1,8-diiodooctane
  • 1,8-Diiodohexadecafluorooctane
  • α,ω-Diiodoperfluorooctane

Work with 1,8-Diiodoperfluorooctane

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

1,6-Diiodoperfluorohexane375-80-4100 % 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

PubChem CAS Common Chemistry NIST WebBook