CAS 202522-22-3|[4-fluoro-2-(trifluoromethyl)phenyl]methanamine|[4-fluoro-2-(trifluoromethyl)phenyl]methanamine|4-Fluoro-2-(trifluoromethyl)benzylamine|4-Fluoro-2-(trifluoromethyl)benzylamine 97%|4-...

基本信息

化学结构

分子式

C₈H₇F₄N

分子量

193.1414928

精确质量

193.05146211

电荷

InChI

InChI=1S/C8H7F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H,4,13H2

InChIKey

BLQGRYYLPWCHMA-UHFFFAOYSA-N

Canonic Smiles

NCc1ccc(cc1C(F)(F)F)F

Isomeric Smiles

c1c(cc(c(c1)CN)C(F)(F)F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-0.82200044

LogD (pH = 7.4)

0.37263218

Log P

2.1195648

摩尔折射率

40.7215

极化性

14.669819

极化表面积

26.02

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标准名

[4-fluoro-2-(trifluoromethyl)phenyl]methanamine

别名

4-Fluoro-2-(trifluoromethyl)benzylamine4-Fluoro-2-(trifluoromethyl)benzylamine 97%4-fluoro-2-trifluoromethylbenzyl amine1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine[4-Fluoro-2-(trifluoromethyl)benzyl]amine[[4-Fluoro-2-(trifluoromethyl)phenyl]methyl]amine4-氟-2-三氟甲基苄胺4-Fluoro-2-(trifluoromethyl)benzenemethanamine4-Fluoro-2-(trifluoromethyl)benzylamine

IUPAC传统名

[4-fluoro-2-(trifluoromethyl)phenyl]methanamine

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID