CAS 77968-17-3|1,1,1,3,5,5,5-Heptafluoropentan-2,4-dione|1,1,1,3,5,5,5-heptafluoropentane-2,4-dione|1,1,1,3,5,5,5-heptafluoropentane-2,4-dione|3H-Perfluoroacetylacetone|1,1,1,3,5,5,5-heptafluoropent...

基本信息

化学结构

分子式

C₅HF₇O₂

分子量

226.0490624

精确质量

225.98647681

电荷

InChI

InChI=1S/C5HF7O2/c6-1(2(13)4(7,8)9)3(14)5(10,11)12/h1H

InChIKey

GRHYFDZMGZYXAP-UHFFFAOYSA-N

Canonic Smiles

FC(C(=O)C(F)(F)F)C(=O)C(F)(F)F

Isomeric Smiles

C(F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F

计算属性

JChem

Acid pKa

4.6843734

质子受体

质子供体

LogD (pH = 5.5)

1.8938127

LogD (pH = 7.4)

0.21631122

Log P

2.7687244

摩尔折射率

27.7565

极化性

10.307249

极化表面积

34.14

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

1,1,1,3,5,5,5-heptafluoropentane-2,4-dione

别名

1,1,1,3,5,5,5-Heptafluoropentan-2,4-dione1,1,1,3,5,5,5-heptafluoropentane-2,4-dione3H-Perfluoroacetylacetone3H-Perfluoropentane-2,4-dione 97%1,1,1,3,5,5,5-七氟代戊烷-2,4-二酮1,1,1,3,5,5,5-Heptafluoroacetylacetone1,1,1,3,5,5,5-Heptafluoropentane-2,4-dione

IUPAC标准名

1,1,1,3,5,5,5-heptafluoropentane-2,4-dione

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

Beilstein号