CAS 243863-36-7|[2-(difluoromethoxy)phenyl]methanamine|[2-(difluoromethoxy)phenyl]methanamine|2-(Difluoromethoxy)benzylamine 98%|2-(Aminomethyl)phenyl difluoromethyl ether|2-(Aminomethyl)-alpha,alph...

General Information

Structure

Molecular Formula

C₈H₉F₂NO

Molecular Mass

173.1599664

Exact Mass

173.06522035

Charge

InChI

InChI=1S/C8H9F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H,5,11H2

InChIKey

GGXXUJUQXAOYPK-UHFFFAOYSA-N

Canonic Smiles

NCc1ccccc1OC(F)F

Isomeric Smiles

O(c1c(cccc1)CN)C(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.0177869

LogD (pH = 7.4)

0.34204686

Log P

1.8681012

Molar Refractivity

41.0035

Polarizability

15.696992

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

[2-(difluoromethoxy)phenyl]methanamine

Synonyms

2-(Difluoromethoxy)benzylamine 98%2-(Aminomethyl)-alpha,alpha-difluoroanisole2-(Aminomethyl)phenyl difluoromethyl ether[2-(Difluoromethoxy)phenyl]methylamine2-(Difluoromethoxy)benzylamine1-[2-(difluoromethoxy)phenyl]methanamine2-(二氟甲氧基)苯甲基胺

IUPAC Traditional name

[2-(difluoromethoxy)phenyl]methanamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID