CAS 27905-45-9|1H,1H,2H,2H-Heptadecafluorodecyl acrylate|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoa...

基本信息

化学结构

分子式

C₁₃H₇F₁₇O₂

分子量

518.1663344

精确质量

518.0174592

电荷

InChI

InChI=1S/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2

InChIKey

QUKRIOLKOHUUBM-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

FC(C(C(C(C(C(C(C(CCOC(=O)C=C)(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)

7.0420732

LogD (pH = 7.4)

7.0420732

Log P

7.0420732

摩尔折射率

64.6384

极化性

24.906982

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

别名

1H,1H,2H,2H-Heptadecafluorodecyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七癸(氟)丙烯酸酯1H,1H,2H,2H-十七氟癸烷丙烯酰酯1H,1H,2H,2H-Perfluorodecyl acrylate1H,1H,2H,2H-全氟癸基丙烯酸酯1H,1H,2H,2H-Perfluorodecyl acrylate1H,1H,2H,2H-Heptadecafluorodecyl acrylateAcrylic acid 1H,1H,2H,2H-perfluorodecyl ester1H,1H,2H,2H-全氟癸基丙烯酸酯3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七癸(氟)丙烯酸酯

IUPAC传统名

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate

IUPAC标准名

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate

名称和标识

数据登录号

MDL号

MFCD00042306

CAS号

27905-45-9

PubChem SID

2487101416097056124890161