CAS 355-43-1|1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane|Perfluoro-n-hexyl iodide|hexane, tridecafluoro-6-iodo-|全氟己基碘|全氟己基碘烷|Tridecafluorohexyl iodide|1-Iodoperfluorohexane|1-碘全...

基本信息

化学结构

分子式

C₆F₁₃I

分子量

445.9479116

精确质量

445.88371486

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.5716

LogD (pH = 7.4)

5.5716

Log P

5.5716

摩尔折射率

44.5159

极化性

17.793913

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC传统名

hexane, tridecafluoro-6-iodo-

IUPAC标准名

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

别名

Perfluoro-n-hexyl iodide1-Iodoperfluorohexane1-碘十三氟己烷Perfluorohexyl iodideTridecafluoro-1-iodohexane1-碘全氟己烷Tridecafluorohexyl iodide十三氟己基碘1-Iodotridecafluorohexane全氟己基碘全氟己基碘烷1-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

名称和标识

数据登录号

PubChem SID

2488716524855861160970281

EC号

CAS号

Beilstein号

MDL号