CAS 754-96-1|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol|1H,1H,10H,10H-Perfluorodecane-1,10-diol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol|2,2,3,3,4,4,5,5,6,6...

基本信息

化学结构

分子式

C₁₀H₆F₁₆O₂

分子量

462.1278912

精确质量

462.01123095

电荷

InChI

InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2

InChIKey

NSKCTPBWPZPFHW-UHFFFAOYSA-N

Canonic Smiles

OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

计算属性

JChem

Acid pKa

12.320049

质子受体

质子供体

LogD (pH = 5.5)

4.3964624

LogD (pH = 7.4)

4.396457

Log P

4.3964624

摩尔折射率

51.8976

极化性

20.594109

极化表面积

40.46

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

别名

1H,1H,10H,10H-Perfluorodecane-1,10-diol十六氟-1,10-癸二醇2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol1H,1H,10H,10H-Perfluorodecane-1,10-diol 96%1H,1H,10H,10H-Perfluoro-1,10-decanediol1H,1H,10H,10H-全氟-1,10-癸二醇2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol

IUPAC标准名

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol

IUPAC传统名

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol

名称和标识

数据登录号

MDL号

MFCD00192200

CAS号

754-96-1

PubChem CID

2733404