CAS 457-68-1|1,1'-Methylenebis(4-fluorobenzene), 1,1'-Methanediylbis(4-fluorobenzene)|4,4'-Difluorodiphenylmethane 99%|1-fluoro-4-[(4-fluorophenyl)methyl]benzene|1-fluoro-4-[(4-fluorophenyl)methyl]b...

General Information

Structure

Molecular Formula

C₁₃H₁₀F₂

Molecular Mass

204.2153064

Exact Mass

204.07505676

Charge

InChI

InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

InChIKey

DXQVFHQUHOFROC-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)Cc1ccc(cc1)F

Isomeric Smiles

Fc1ccc(cc1)Cc1ccc(cc1)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.350444

LogD (pH = 7.4)

4.350444

Log P

4.350444

Molar Refractivity

56.228

Polarizability

20.991262

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1,1'-Methylenebis(4-fluorobenzene), 1,1'-Methanediylbis(4-fluorobenzene)4,4'-Difluorodiphenylmethane 99%双(4-氟苯基)甲烷4,4'-二氟二苯甲烷Bis(4-fluorophenyl)methane4,4′-DifluorodiphenylmethaneBis(4-fluorophenyl)methane4,4'-Difluorodiphenylmethane双(4-氟苯基)甲烷

IUPAC Traditional name

1-fluoro-4-[(4-fluorophenyl)methyl]benzene

IUPAC name

1-fluoro-4-[(4-fluorophenyl)methyl]benzene

Names and Identifiers

Registration numbers

CAS Number

457-68-1

MDL Number

MFCD00000360

EC Number

207-274-2