CAS 27064-94-4|1-[chloro(4-fluorophenyl)methyl]-4-fluorobenzene|4,4'-Difluorobenzhydryl chloride 98%|1,1'-(Chloromethylene)bis(4-fluorobenzene)|1-[chloro(4-fluorophenyl)methyl]-4-fluorobenzene|Bis(4...

General Information

Structure

Molecular Formula

C₁₃H₉ClF₂

Molecular Mass

238.6603664

Exact Mass

238.03608441

Charge

InChI

InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H

InChIKey

FHPNLCLHMNPLEW-UHFFFAOYSA-N

Canonic Smiles

ClC(c1ccc(cc1)F)c1ccc(cc1)F

Isomeric Smiles

ClC(c1ccc(cc1)F)c1ccc(cc1)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.630132

LogD (pH = 7.4)

4.630132

Log P

4.630132

Molar Refractivity

60.6405

Polarizability

22.92462

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-[chloro(4-fluorophenyl)methyl]-4-fluorobenzene

Synonyms

4,4'-Difluorobenzhydryl chloride 98%1,1'-(Chloromethylene)bis(4-fluorobenzene)Bis(4-fluorophenyl)chloromethane4,4′-Difluorobenzhydryl chlorideChlorobis(4-fluorophenyl)methane4,4′-二氟二苯甲基氯氯代双(4-氟苯基)甲烷4,4'-(Chloromethylene)bis(fluorobenzene)4,4'-Difluorobenzhydryl chloride4,4'-二氟二苯基氯甲烷Chlorobis(4-fluorophenyl)methane

IUPAC Traditional name

1-[chloro(4-fluorophenyl)methyl]-4-fluorobenzene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID