CAS 68734-62-3|trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate|Trimethylsilyl nonafluorobutanesulfonate|trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate|Trimethylsilyl non...

基本信息

化学结构

分子式

C₇H₉F₉O₃SSi

分子量

372.2806888

精确质量

371.98979566

电荷

InChI

InChI=1S/C7H9F9O3SSi/c1-21(2,3)19-20(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h1-3H3

InChIKey

XMIPIKYUVSCYKT-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)O[Si](C)(C)C)F

Isomeric Smiles

[Si](OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.8245

LogD (pH = 7.4)

4.8245

Log P

4.8245

摩尔折射率

48.4328

极化性

21.148232

极化表面积

43.37

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

IUPAC标准名

trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

别名

Trimethylsilyl nonafluorobutanesulfonateTrimethylsilyl nonafluorobutanesulphonate 97%TrimethylsilylnonaflateTrimethylsilyl perfluoro-1-butanesulfonateTrimethylsilyl nonafluoro-1-butanesulfonate三甲基硅基全氟丁基磺酸酯Trimethylsilyl nonaflate三甲基硅基九氟-1-丁烷磺酸酯三甲基硅基全氟-1-丁烷磺酸酯

名称和标识

数据登录号

MDL号

CAS号

Beilstein号

PubChem SID

PubChem CID