CAS 2043-47-2|1H,1H,2H,2H-Perfluorohexan-1-ol|3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol|3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol|2-(Nonafluorobut-1-yl)ethan-1-ol|2-(Perfluorobut-1-yl)ethan-1-ol|3,3,4,4,5...

基本信息

化学结构

分子式

C₆H₅F₉O

分子量

264.0889288

精确质量

264.01966876

电荷

InChI

InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2

InChIKey

JCMNMOBHVPONLD-UHFFFAOYSA-N

Canonic Smiles

OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)(F)F

计算属性

JChem

Acid pKa

15.763862

质子受体

质子供体

LogD (pH = 5.5)

2.8087504

LogD (pH = 7.4)

2.8087504

Log P

2.8087504

摩尔折射率

32.1672

极化性

12.346117

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

别名

1H,1H,2H,2H-Perfluorohexan-1-ol2-(Nonafluorobut-1-yl)ethan-1-ol2-(Perfluorobut-1-yl)ethan-1-ol3,3,4,4,5,5,6,6,6-Nonafluorohexan-1-ol 97%1H,1H,2H,2H-Perfluorohexan-1-ol1H,1H,2H,2H-全氟己-1-醇3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanol3,3,4,4,5,5,6,6,6-九氟-1-己醇

IUPAC传统名

3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol

IUPAC标准名

3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol

名称和标识

数据登录号

PubChem SID

16097056624877913

PubChem CID

74883

MDL号

MFCD00039543