CAS 328-74-5|3,5-bis(trifluoromethyl)aniline|3,5-Bis(trifluoromethyl)aniline|3,5-bis(trifluorome)aniline|5-Amino-α,α,α,α′,α′,α′-hexafluoro-m-xylene|3,5-Bis(trifluoromethyl)aniline|5-氨基-α,...

General Information

Structure

Molecular Formula

C₈H₅F₆N

Molecular Mass

229.1224192

Exact Mass

229.03261849

Charge

InChI

InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2

InChIKey

CDIDGWDGQGVCIB-UHFFFAOYSA-N

Canonic Smiles

Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Isomeric Smiles

FC(F)(F)c1cc(C(F)(F)F)cc(c1)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.89971

LogD (pH = 7.4)

2.900013

Log P

2.9000168

Molar Refractivity

42.7058

Polarizability

14.362384

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3,5-bis(trifluoromethyl)aniline

Synonyms

3,5-Bis(trifluoromethyl)aniline5-Amino-α,α,α,α′,α′,α′-hexafluoro-m-xylene3,5-Bis(trifluoromethyl)aniline5-氨基-α,α,α,α′,α′,α′-六氟间二甲苯3,5-二(三氟甲基)苯胺α,α,α,α′,α′,α′-Hexafluoro-3,5-xylidineα,α,α,α′,α′,α′-六氟-3,5-二甲基苯胺3,5-Bis(trifluoromethyl)aniline 98%3',5'-Bis-(Trifluoromethyl)aniline3,5-Di(trifluoromethyl)aniline3,5-双(三氟甲基)苯胺

IUPAC Traditional name

3,5-bis(trifluorome)aniline

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number