CAS 383-29-9|1-fluoro-4-(4-fluorobenzenesulfonyl)benzene|1-fluoro-4-(4-fluorobenzenesulfonyl)benzene|Bis(4-fluorophenyl) sulfone|4,4'-DIFLUORODIPHENYL SULFONE|Bis(4-fluorophenyl) sulfone|双(4-氟苯基)...

General Information

Structure

Molecular Formula

C₁₂H₈F₂O₂S

Molecular Mass

254.2525264

Exact Mass

254.02130694

Charge

InChI

InChI=1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

InChIKey

PLVUIVUKKJTSDM-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)S(=O)(=O)c1ccc(cc1)F

Isomeric Smiles

Fc1ccc(cc1)S(=O)(=O)c1ccc(cc1)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2134843

LogD (pH = 7.4)

3.2134843

Log P

3.2134843

Molar Refractivity

60.023

Polarizability

23.773647

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Bis(4-fluorophenyl) sulfone4,4'-DIFLUORODIPHENYL SULFONE4-Fluorophenyl sulfone4,4′-二氟二苯砜双(4-氟苯基)砜Bis(4-fluorophenyl) sulfone4-氟苯基砜4,4′-Difluorodiphenyl sulfone1,1'-Sulphonylbis(4-fluorobenzene), Bis(4-fluorophenyl) sulphone4,4'-Difluorodiphenyl sulphone 98%4,4'-Sulfonylbis(fluorobenzene)4,4'-Difluorodiphenyl sulfone

IUPAC name

1-fluoro-4-(4-fluorobenzenesulfonyl)benzene

IUPAC Traditional name

1-fluoro-4-(4-fluorobenzenesulfonyl)benzene

Names and Identifiers

Registration numbers

CAS Number

383-29-9

MDL Number

MFCD00000350

PubChem SID

16097266124894773