CAS 17527-29-6|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate|1H,1H,2H,2H-Perfluorooctyl acrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tri...

基本信息

化学结构

分子式

C₁₁H₇F₁₃O₂

分子量

418.1513216

精确质量

418.02384632

电荷

InChI

InChI=1S/C11H7F13O2/c1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2

InChIKey

VPKQPPJQTZJZDB-UHFFFAOYSA-N

Canonic Smiles

C=CC(=O)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)(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)

5.6407876

LogD (pH = 7.4)

5.6407876

Log P

5.6407876

摩尔折射率

55.3024

极化性

21.125418

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传统名

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

别名

1H,1H,2H,2H-Perfluorooctyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl prop-2-enoate2-(Perfluorohex-1-yl)ethyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl acrylateTFOA3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基丙烯酸酯1H,1H,2H,2H-perfluorooctyl acrylate

IUPAC标准名

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

名称和标识

数据登录号

MDL号

CAS号

EC号

PubChem CID