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...

General Information

Structure

Molecular Formula

C₉H₇F₃O

Molecular Mass

188.1464896

Exact Mass

188.0448995

Charge

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

Calculated Properties

JChem

Acid pKa

16.060461

H Acceptors

H Donor

LogD (pH = 5.5)

2.4087417

LogD (pH = 7.4)

2.4087417

Log P

2.4087417

Molar Refractivity

42.4345

Polarizability

15.243809

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

p-(trifluoromethyl)benzoyl 4-trifluormethyl-acetophenon

Synonyms

4'-(Trifluoromethyl)acetophenone对三氯甲基苯乙酮4-Acetylbenzotrifluoride4′-(三氟甲基)苯乙酮4′-(Trifluoromethyl)acetophenone1-[4-(Trifluoromethyl)phenyl]ethan-1-one4'-(Trifluoromethyl)acetophenone 98%1-[4-(Trifluoromethyl)phenyl]-1-ethanone1-Acetyl-4-(trifluoromethyl)benzene(4-Trifluoromethylphenyl) Methyl Ketone1-[4-(Trifluoromethyl)phenyl]ethanoneNSC 88346p-(Trifluoromethyl)acetophenone1-(4-Trifluoromethylphenyl)ethanone1-[4-(trifluoromethyl)phenyl]ethanone4'-(Trifluoromethyl)acetophenone1-(4-(Trifluoromethyl)phenyl)ethanone4'-(三氟甲基)苯乙酮

IUPAC name

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

Names and Identifiers

Registration numbers

PubChem SID

1609731952485395824889555

PubChem CID

69731

CAS Number

709-63-7

MDL Number

MFCD00000401