CAS 2043-57-4|1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane|1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane|1H,1H,2H,2H-Perfluorooctyl iodide|1-Iodo-1H,1H,2H,2H-tridecafluorooctane|8-Iod...

基本信息

化学结构

分子式

C₈H₄F₁₃I

分子量

474.0010716

精确质量

473.91501499

电荷

InChI

InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2

InChIKey

NVVZEKTVIXIUKW-UHFFFAOYSA-N

Canonic Smiles

ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

FC(C(C(C(C(C(CCI)(F)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)

6.180401

LogD (pH = 7.4)

6.180401

Log P

6.180401

摩尔折射率

52.7864

极化性

20.919552

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

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

IUPAC标准名

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

别名

1H,1H,2H,2H-Perfluorooctyl iodide1-Iodo-1H,1H,2H,2H-tridecafluorooctane8-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane1-Iodo-2-(perfluorohex-1-yl)ethane2-(Perfluorohex-1-yl)ethyl iodide1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl iodide1H,1H,2H,2H-Perfluorooctyl iodide1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟-8-碘辛烷8-碘-1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟辛烷3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基碘1H,1H,2H,2H-全氟碘辛烷1H,1H,2H,2H-Perfluorooctyl iodide1H,1H,2H,2H-全氟碘辛烷1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane1-碘-1H,1H,2H,2H-全氟辛烷1H,1H,2H,2H-Perfluoro-1-iodooctane1-Iodo-1H,1H,2H,2H-perfluorooctane

名称和标识

数据登录号

PubChem SID

CAS号

EC号

MDL号

Beilstein号