CAS 85068-29-7|[3,5-bis(trifluoromethyl)phenyl]methanamine|3,5-Bis(trifluoromethyl)benzylamine|[3,5-bis(trifluoromethyl)phenyl]methanamine|3,5-双(三氟甲基)苄胺|3,5-Bis(trifluoromethyl)benzylamine|3,...

基本信息

化学结构

分子式

C₉H₇F₆N

分子量

243.1489992

精确质量

243.04826855

电荷

InChI

InChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2

InChIKey

DHVHORCFFOSRBP-UHFFFAOYSA-N

Canonic Smiles

NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Isomeric Smiles

c1(cc(cc(c1)CN)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)

-0.10452623

LogD (pH = 7.4)

1.0128775

Log P

2.8547113

摩尔折射率

46.4788

极化性

16.397741

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传统名

[3,5-bis(trifluoromethyl)phenyl]methanamine

别名

3,5-Bis(trifluoromethyl)benzylamine3,5-双(三氟甲基)苄胺3,5-Bis(trifluoromethyl)benzylamine3,5-Bis(trifluoromethyl)benzylamine 95%[3,5-Bis(trifluoromethyl)phenyl]methylamine3,5-Ditrifluoromethylbenzylamine(3,5-Bis(trifluoromethyl)phenyl)methanamine3,5-二(三氟甲基)苯甲胺

IUPAC标准名

[3,5-bis(trifluoromethyl)phenyl]methanamine

名称和标识

数据登录号

MDL号

PubChem CID

CAS号

PubChem SID