chempirical

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

C9F19ICAS 865-77-0595.97 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFFFFFI
Alkyl halide

Properties

Molecular formula
C9F19I
Molar mass
595.97 g/mol
Exact mass
595.8741 Da
Boiling point
189.5 °C
logP
7.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
865-77-0
SMILES
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
VRJGWRPPKVEMMR-UHFFFAOYSA-N
InChI
InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29

Weigh it out

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

Names and synonyms

5 names
  • Octane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)-
  • Octane, hexadecafluoro-1-iodo-7-(trifluoromethyl)-
  • Nonadecafluoro-1-iodo-7-methyloctane
  • 1-Iodo-7-(trifluoromethyl)perfluorooctane
  • 1-Iodoperfluoro-7-methyloctane

Work with 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

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

1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane3486-08-6100 % similar 1,1,1,2,3,3,4,4-Octafluoro-4-iodo-2-(trifluoromethyl)butane1514-90-581 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane335-58-068 % similar Perfluorohexyl iodide355-43-168 % similar Perfluorodecyl iodide423-62-168 % similar Perfluorooctyl iodide507-63-168 % similar 1,8-Diiodoperfluorooctane335-70-665 % similar 1,6-Diiodoperfluorohexane375-80-465 % similar

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

Elsewhere

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