CAS 148043-73-6|4,4,5,5,5-Pentafluoro-1-pentanol|4,4,5,5,5-pentafluoropentan-1-ol|4,4,5,5,5-pentafluoropentan-1-ol|4,4,5,5,5-Pentafluoropentan-1-ol|3-(Perfluoroethyl)propan-1-ol|5-Hydroxy-1,1,1,2,2-...

基本信息

化学结构

分子式

C₅H₇F₅O

分子量

178.100496

精确质量

178.04170594

电荷

InChI

InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2

InChIKey

QROUUECTKRZFHF-UHFFFAOYSA-N

Canonic Smiles

OCCCC(C(F)(F)F)(F)F

Isomeric Smiles

C(C(CCCO)(F)F)(F)(F)F

计算属性

JChem

Acid pKa

15.963685

质子受体

质子供体

LogD (pH = 5.5)

1.4857829

LogD (pH = 7.4)

1.4857829

Log P

1.4857829

摩尔折射率

27.9998

极化性

10.225439

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

4,4,5,5,5-Pentafluoro-1-pentanol4,4,5,5,5-Pentafluoropentan-1-ol3-(Perfluoroethyl)propan-1-ol5-Hydroxy-1,1,1,2,2-pentafluoropentane4,4,5,5,5-Pentafluoro-1-pentanol4,4,5,5,5-Pentafluoropentanol4,4,5,5,5-Pentafluoro-1-pentanol4,4,5,5,5-五氟-1-戊醇4,4,5,5,5-Pentafluoropentanol4,4,5,5,5-五氟戊醇

IUPAC标准名

4,4,5,5,5-pentafluoropentan-1-ol

IUPAC传统名

4,4,5,5,5-pentafluoropentan-1-ol

名称和标识

数据登录号

PubChem CID

547967

PubChem SID

16097008124878519

MDL号

MFCD00153224