CAS 2993-85-3|2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate|1H,1H,7H-Dodecafluoroheptyl acrylate|2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate|Acrylic acid 1H,1H,7H-dodecafluor...

基本信息

化学结构

分子式

C₁₀H₆F₁₂O₂

分子量

386.1342784

精确质量

386.01761807

电荷

InChI

InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2

InChIKey

QJEJDNMGOWJONG-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

C(C(C(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

计算属性

JChem

Acid pKa

19.78678

质子受体

质子供体

LogD (pH = 5.5)

4.881724

LogD (pH = 7.4)

4.881724

Log P

4.881724

摩尔折射率

49.9609

极化性

19.355474

极化表面积

26.3

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate

别名

1H,1H,7H-Dodecafluoroheptyl acrylateAcrylic acid 1H,1H,7H-dodecafluoroheptyl esterDFHA1H,1H,7H-十二氟庚基丙烯酸酯1H,1H,7H-Perfluoroheptyl acrylate 98%2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate1H,1H,7H-Dodecafluoroheptyl acrylate2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate

IUPAC传统名

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate

名称和标识

数据登录号

EC号

MDL号

CAS号

Beilstein号