CAS 307-30-2|pentadecafluoro-1-octanol|1H,1H-Pentadecafluoro-1-octanol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol|1H,1H-Perfluorooctan-1-ol 98%|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十五氟-1-辛...

基本信息

化学结构

分子式

C₈H₃F₁₅O

分子量

400.084868

精确质量

399.99443802

电荷

InChI

InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2

InChIKey

PJDOLCGOTSNFJM-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

计算属性

JChem

Acid pKa

12.621079

质子受体

质子供体

LogD (pH = 5.5)

4.6403756

LogD (pH = 7.4)

4.6403728

Log P

4.6403756

摩尔折射率

41.7194

极化性

16.498053

极化表面积

20.23

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol

IUPAC传统名

pentadecafluoro-1-octanol

别名

1H,1H-Pentadecafluoro-1-octanol1H,1H-Perfluorooctan-1-ol 98%2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十五氟-1-辛醇2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol1H,1H-Perfluoro-1-octanol2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol1H,1H-全氟-1-辛醇

名称和标识

数据登录号

MDL号

CAS号

EC号

Beilstein号

PubChem SID