CAS 425-61-6|2,2,3,3-tetrafluorobutane-1,4-diol|1,4-Dihydroxy-2,2,3,3-tetrafluorobutane|2,2,3,3-tetrafluorobutane-1,4-diol|2,2,3,3-Tetrafluorobutane-1,4-diol 97%|2,2,3,3-Tetrafluoro-1,4-butanediol|T...

基本信息

化学结构

分子式

C₄H₆F₄O₂

分子量

162.0828528

精确质量

162.03039231

电荷

InChI

InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2

InChIKey

CDZXJJOGDCLNKX-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

计算属性

JChem

Acid pKa

12.328432

质子受体

质子供体

LogD (pH = 5.5)

0.19260629

LogD (pH = 7.4)

0.19260123

Log P

0.19260634

摩尔折射率

23.8896

极化性

9.230635

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

1,4-Dihydroxy-2,2,3,3-tetrafluorobutane2,2,3,3-Tetrafluorobutane-1,4-diol 97%2,2,3,3-Tetrafluoro-1,4-butanediolNSC 951132,2,3,3-Tetrafluoro-1,4-butanediolTetrafluoro-1,4-butanediol2,2,3,3-Tetrafluorobutanediol2,2,3,3-四氟-1,4-丁二醇2,2,3,3-四氟-1,4-丁烷二醇

IUPAC传统名

2,2,3,3-tetrafluorobutane-1,4-diol

IUPAC标准名

2,2,3,3-tetrafluorobutane-1,4-diol

名称和标识

数据登录号

CAS号

425-61-6

MDL号

MFCD00042375

PubChem SID

24880351160971362