CAS 355-43-1|hexane, tridecafluoro-6-iodo-|1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane|Perfluoro-n-hexyl iodide|1-Iodoperfluorohexane|1-碘十三氟己烷|Perfluorohexyl iodide|Tridecafluoro-1-io...

General Information

Structure

Molecular Formula

C₆F₁₃I

Molecular Mass

445.9479116

Exact Mass

445.88371486

Charge

InChI

InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20

InChIKey

BULLJMKUVKYZDJ-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F

Isomeric Smiles

C(C(I)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.5716

LogD (pH = 7.4)

5.5716

Log P

5.5716

Molar Refractivity

44.5159

Polarizability

17.793913

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane

Synonyms

Perfluoro-n-hexyl iodide全氟己基碘全氟己基碘烷Tridecafluorohexyl iodide1-Iodoperfluorohexane1-碘全氟己烷1-碘十三氟己烷十三氟己基碘Perfluorohexyl iodideTridecafluoro-1-iodohexane1-Iodotridecafluorohexane1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexanePerfluorohexyl iodide 98%Perfluoro(1-iodohexane)Tridecafluoro-1-iodohexane全氟己基碘烷Perfluoro-1-iodohexane1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane1-碘全氟己烷Perfluoro-n-hexyl iodide

IUPAC Traditional name

hexane, tridecafluoro-6-iodo-

Names and Identifiers

Registration numbers

PubChem SID

2488716524855861160970281

EC Number

206-586-6

CAS Number

355-43-1

Beilstein Number

1802118