CAS 17741-60-5|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate|1H,1H,2H,2H-Perfluorododecyl acrylate|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosaflu...

基本信息

化学结构

分子式

C₁₅H₇F₂₁O₂

分子量

618.1813472

精确质量

618.01107208

电荷

InChI

InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2

InChIKey

FIAHOPQKBBASOY-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

O(C(=O)C=C)CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)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)

8.443358

LogD (pH = 7.4)

8.443358

Log P

8.443358

摩尔折射率

73.9744

极化性

28.705973

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

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate

别名

1H,1H,2H,2H-Perfluorododecyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl prop-2-enoate3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-二十一氟十二烷醇丙烯酸酯3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl acrylate

IUPAC标准名

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID