CAS 652-29-9|1-(Pentafluorophenyl)ethan-1-one|2',3',4',5',6'-Pentafluoroacetophenone 97%|1-(Perfluorophenyl)ethan-1-one|pentafluoroacetophenone|1-(pentafluorophenyl)ethan-1-one|2′,3′,4′,5′,6′-五...

General Information

Structure

Molecular Formula

C₈H₃F₅O

Molecular Mass

210.100836

Exact Mass

210.01040582

Charge

InChI

InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3

InChIKey

FBGHCYZBCMDEOX-UHFFFAOYSA-N

Canonic Smiles

Fc1c(F)c(C(=O)C)c(c(c1F)F)F

Isomeric Smiles

O=C(c1c(c(c(c(c1F)F)F)F)F)C

Calculated Properties

JChem

Acid pKa

14.171274

H Acceptors

H Donor

LogD (pH = 5.5)

2.2444031

LogD (pH = 7.4)

2.244403

Log P

2.2444031

Molar Refractivity

37.5428

Polarizability

13.281697

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

1-(Pentafluorophenyl)ethan-1-one2',3',4',5',6'-Pentafluoroacetophenone 97%1-(Perfluorophenyl)ethan-1-one2′,3′,4′,5′,6′-五氟苯乙酮2',3',4',5',6'-五氟苯乙酮2',3',4',5',6'-Pentafluoroacetophenone2′,3′,4′,5′,6′-Pentafluoroacetophenone

IUPAC Traditional name

pentafluoroacetophenone

IUPAC name

1-(pentafluorophenyl)ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

652-29-9

MDL Number

MFCD00000296

PubChem CID

69546