CAS 24407-09-8|4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate|4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl...

基本信息

化学结构

分子式

C₁₅H₉F₁₉O₃

分子量

598.1998208

精确质量

598.02483033

电荷

InChI

InChI=1S/C15H9F19O3/c1-2-6(36)37-4-5(35)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h2,5,35H,1,3-4H2

InChIKey

VAHMONSDBBIGFL-UHFFFAOYSA-N

Canonic Smiles

C=CC(=O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Isomeric Smiles

FC(C(F)(C(F)(F)C(C(C(CC(COC(=O)C=C)O)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F

计算属性

JChem

Acid pKa

14.232143

质子受体

质子供体

LogD (pH = 5.5)

6.850717

LogD (pH = 7.4)

6.850717

Log P

6.850717

摩尔折射率

75.543

极化性

29.210632

极化表面积

46.53

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

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate

别名

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undec-1-yl acrylate3-(Perfluoro-7-methyloct-1yl)-2-hydroxypropyl acrylate4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undec-1-yl prop-2-enoate

IUPAC标准名

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID