CAS 2144-53-8|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2...

基本信息

化学结构

分子式

C₁₂H₉F₁₃O₂

分子量

432.1779016

精确质量

432.03949639

电荷

InChI

InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3

InChIKey

CDXFIRXEAJABAZ-UHFFFAOYSA-N

Canonic Smiles

O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

C(C(C(C(C(C(CCOC(=O)C(=C)C)(F)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)

6.0363383

LogD (pH = 7.4)

6.0363383

Log P

6.0363383

摩尔折射率

59.6595

极化性

22.774662

极化表面积

26.3

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标准名

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

IUPAC传统名

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

别名

1H,1H,2H,2H-Perfluorooctyl methacrylate1H,1H,2H,2H-Perfluorooctyl methacrylate 95%2-(Perfluorohexyl)ethyl methacrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate甲基丙烯酸 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛酯1H,1H,2H,2H-perfluorooctyl methacrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate

名称和标识

数据登录号

PubChem CID

PubChem SID

CAS号

MDL号

EC号