CAS 830-50-2|CAS 75853-08-6|1-(pentafluorophenyl)ethanol|1-(pentafluorophenyl)ethan-1-ol|1-(Pentafluorophenyl)ethanol|1-(Pentafluorophenyl)ethanol 97%|2,3,4,5,6-Pentafluoro-alpha-methylbenzyl alcoho...

基本信息

化学结构

分子式

C₈H₅F₅O

分子量

212.116716

精确质量

212.02605588

电荷

InChI

InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3

InChIKey

WYUNHWKTLDBPLE-UHFFFAOYSA-N

Canonic Smiles

Fc1c(F)c(C(O)C)c(c(c1F)F)F

Isomeric Smiles

C(C)(O)c1c(F)c(F)c(c(c1F)F)F

计算属性

JChem

Acid pKa

13.725352

质子受体

质子供体

LogD (pH = 5.5)

2.3359807

LogD (pH = 7.4)

2.3359807

Log P

2.3359807

摩尔折射率

38.3747

极化性

13.790601

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传统名

1-(pentafluorophenyl)ethanol

IUPAC标准名

1-(pentafluorophenyl)ethan-1-ol

别名

1-(Pentafluorophenyl)ethanol1-(Pentafluorophenyl)ethanol 97%2,3,4,5,6-Pentafluoro-alpha-methylbenzyl alcohol(±)-1-(Pentafluorophenyl)ethanol(±)-α-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol(±)-1-(五氟苯基)乙醇1-(五氟苯基)乙醇alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcoholMethyl pentafluorophenyl carbinol1-(Pentafluorophenyl)ethanol

名称和标识

数据登录号

PubChem CID

PubChem SID

CAS号

MDL号

EC号