CAS 13670-99-0|1-(2,6-difluorophenyl)ethanone|2',6'-Difluoroacetophenone|1-(2,6-difluorophenyl)ethan-1-one|2′,6′-Difluoroacetophenone|2′,6′-二氟苯乙酮|2',6'-Difluoroacetophenone 98%|1-(2,6-Diflu...

General Information

Structure

Molecular Formula

C₈H₆F₂O

Molecular Mass

156.1294464

Exact Mass

156.03867125

Charge

InChI

InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

InChIKey

VGIIILXIQLXVLC-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1c(F)cccc1F

Isomeric Smiles

c1ccc(c(c1F)C(=O)C)F

Calculated Properties

JChem

Acid pKa

14.498854

H Acceptors

H Donor

LogD (pH = 5.5)

1.8162972

LogD (pH = 7.4)

1.8162972

Log P

1.8162972

Molar Refractivity

36.8936

Polarizability

13.513512

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(2,6-difluorophenyl)ethanone

Synonyms

2',6'-Difluoroacetophenone2′,6′-Difluoroacetophenone2′,6′-二氟苯乙酮2',6'-Difluoroacetophenone 98%1-(2,6-Difluorophenyl)ethan-1-one1-(2,6-difluorophenyl)ethan-1-one1-(2,6-Difluorophenyl)-1-oxoethane1-(2,6-Difluorophenyl)ethanone2',6'-Difluoroacetophenone2',6'-二氟苯乙酮

IUPAC name

1-(2,6-difluorophenyl)ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

13670-99-0

MDL Number

MFCD00000328MFCD00134430

Beilstein Number

2046068

EC Number

237-151-9