CAS 22767-90-4|5,5-Dimethyl-1,1,1-trifluorohexane-2,4-dione 98%|1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione|5,5-Dimethyl-1,1,1-trifluorohexane-2,4-dione|1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione...

基本信息

化学结构

分子式

C₈H₁₁F₃O₂

分子量

196.1669496

精确质量

196.07111425

电荷

InChI

InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3

InChIKey

BVPKYBMUQDZTJH-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

计算属性

JChem

Acid pKa

7.1172676

质子受体

质子供体

LogD (pH = 5.5)

3.2496464

LogD (pH = 7.4)

2.7955344

Log P

3.2599988

摩尔折射率

40.8026

极化性

15.154869

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

别名

5,5-Dimethyl-1,1,1-trifluorohexane-2,4-dione 98%5,5-Dimethyl-1,1,1-trifluorohexane-2,4-dione1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione5,5-二甲-1,1,1-三氟-2,4-己二酮1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedionePivaloyltrifluoroacetone1,1,1-三氟-5,5-二甲基-2,4-己二酮PTA

IUPAC标准名

1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione

IUPAC传统名

1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione

名称和标识

数据登录号

PubChem SID

24870464160971424

EC号

245-211-0

CAS号

22767-90-4