CAS 709-63-7|p-(trifluoromethyl)benzoyl|4'-(Trifluoromethyl)acetophenone|1-[4-(trifluoromethyl)phenyl]ethan-1-one|4′-(三氟甲基)苯乙酮|4-Acetylbenzotrifluoride|4′-(Trifluoromethyl)acetophenone|对三...

基本信息

化学结构

分子式

C₉H₇F₃O

分子量

188.1464896

精确质量

188.0448995

电荷

InChI

InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3

InChIKey

HHAISVSEJFEWBZ-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc(cc1)C(F)(F)F

Isomeric Smiles

FC(F)(F)c1ccc(cc1)C(=O)C

计算属性

JChem

Acid pKa

16.060461

质子受体

质子供体

LogD (pH = 5.5)

2.4087417

LogD (pH = 7.4)

2.4087417

Log P

2.4087417

摩尔折射率

42.4345

极化性

15.243809

极化表面积

17.07

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

p-(trifluoromethyl)benzoyl 4-trifluormethyl-acetophenon

别名

4'-(Trifluoromethyl)acetophenone4′-(三氟甲基)苯乙酮4-Acetylbenzotrifluoride4′-(Trifluoromethyl)acetophenone对三氯甲基苯乙酮1-[4-(Trifluoromethyl)phenyl]ethan-1-one4'-(Trifluoromethyl)acetophenone 98%1-[4-(Trifluoromethyl)phenyl]ethanone(4-Trifluoromethylphenyl) Methyl Ketone1-[4-(Trifluoromethyl)phenyl]-1-ethanone1-Acetyl-4-(trifluoromethyl)benzene1-(4-Trifluoromethylphenyl)ethanonep-(Trifluoromethyl)acetophenoneNSC 883461-[4-(trifluoromethyl)phenyl]ethanone4'-(Trifluoromethyl)acetophenone4'-(三氟甲基)苯乙酮1-(4-(Trifluoromethyl)phenyl)ethanone

IUPAC标准名

1-[4-(trifluoromethyl)phenyl]ethan-1-one

名称和标识

数据登录号

PubChem SID

1609731952485395824889555

PubChem CID

69731

CAS号

709-63-7

MDL号

MFCD00000401