CAS 1868-00-4|bis[3-(trifluoromethyl)phenyl]methanone|bis[3-(trifluoromethyl)phenyl]methanone|3,3'-Bis(trifluoromethyl)benzophenone 98%|3,3'-DI(TRIFLUOROMETHYL)BENZOPHENONE|3,3′-双(三氟甲基)二苯甲...

基本信息

化学结构

分子式

C₁₅H₈F₆O

分子量

318.2138392

精确质量

318.0479342

电荷

InChI

InChI=1S/C15H8F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8H

InChIKey

POOXOHISLGOAEF-UHFFFAOYSA-N

Canonic Smiles

O=C(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F

Isomeric Smiles

O=C(c1cc(ccc1)C(F)(F)F)c1cccc(c1)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.188296

LogD (pH = 7.4)

5.188296

Log P

5.188296

摩尔折射率

68.5809

极化性

24.395084

极化表面积

17.07

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC传统名

bis[3-(trifluoromethyl)phenyl]methanone

IUPAC标准名

bis[3-(trifluoromethyl)phenyl]methanone

别名

3,3'-Bis(trifluoromethyl)benzophenone 98%3,3′-双(三氟甲基)二苯甲酮3,3'-DI(TRIFLUOROMETHYL)BENZOPHENONE3,3′-Bis(trifluoromethyl)benzophenone3,3'-双(三氟甲基)苯甲酮3,3'-Bis(trifluoromethyl)benzophenone3,3'-Bis(trifluoromethyl)benzophenone

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

Beilstein号

EC号