CAS 685-27-8|2,2,2-Trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide|2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide|2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide|N-METHYL-bis-(TRI...

基本信息

化学结构

分子式

C₅H₃F₆NO₂

分子量

223.0732392

精确质量

223.00679766

电荷

InChI

InChI=1S/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3

InChIKey

AWGBWLXGUPTXHF-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.4466534

LogD (pH = 7.4)

1.4466534

Log P

1.4466534

摩尔折射率

30.9489

极化性

11.311375

极化表面积

37.38

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

2,2,2-Trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamideN-METHYL-bis-(TRI-FLUOROACETAMIDE)MBTFAN-Methyl-bis(trifluoroacetamide)N-甲基-双(三氟乙酰胺)N-Methylbis(trifluoroacetamide) 99+%N-Methyl-2,2,2-trifluoro-N-(trifluoroacetyl)acetamideN,N-Bis(trifluoroacetyl)methylamineN-Methylbis(trifluoroacetamide) 98%

IUPAC传统名

2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

IUPAC标准名

2,2,2-trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

名称和标识

数据登录号

CAS号

685-27-8

Beilstein号

1878402

MDL号

MFCD00000412