CAS 6226-25-1|2,2,2-Trifluoroethyl trifluoromethanesulphonate 97%|2,2,2-trifluoroethyl trifluoromethanesulfonate|2,2,2-trifluoroethyl trifluoromethanesulfonate|2,2,2-Trifluoroethyl triflate|2,2,2-Tr...

基本信息

化学结构

分子式

C₃H₂F₆O₃S

分子量

232.1015992

精确质量

231.96288424

电荷

InChI

InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2

InChIKey

RTMMSCJWQYWMNK-UHFFFAOYSA-N

Canonic Smiles

FC(COS(=O)(=O)C(F)(F)F)(F)F

Isomeric Smiles

C(S(=O)(=O)OCC(F)(F)F)(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.4810941

LogD (pH = 7.4)

2.4810941

Log P

2.4810941

摩尔折射率

26.9143

极化性

11.415934

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

别名

2,2,2-Trifluoroethyl trifluoromethanesulphonate 97%2,2,2-Trifluoroethyl triflate2,2,2-Trifluoroethyl trifluoromethanesulfonate2,2,2-Trifluoroethanol TrifluoromethanesulfonateTrifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester2,2,2-Trifluoroethyl trifluoromethanesulfonate2,2,2-Trifluoroethyl trifluoromethylsulfonate2,2,2-Trifluoroethyl Triflate2,2,2-Trifluoroethyltrifluoromethanesulfonate

IUPAC传统名

2,2,2-trifluoroethyl trifluoromethanesulfonate

IUPAC标准名

2,2,2-trifluoroethyl trifluoromethanesulfonate

名称和标识

数据登录号

CAS号

6226-25-1

MDL号

MFCD00671579

PubChem SID

160971533