CAS 90774-69-9|4-(trifluoromethyl)aniline hydrochloride|P-trifluoromethylaniline hydrochloride|alpha,alpha,alpha-Trifluoro-p-toluidine hydrochloride|4-(Trifluoromethyl)aniline hydrochloride|4-Aminob...

General Information

Structure

Molecular Formula

C₇H₇ClF₃N

Molecular Mass

197.5853896

Exact Mass

197.02191157

Charge

InChI

InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H

InChIKey

CZGDYZDUMJDQSD-UHFFFAOYSA-N

Canonic Smiles

FC(c1ccc(cc1)N)(F)F.Cl

Isomeric Smiles

FC(F)(F)c1ccc(cc1)N.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0168116

LogD (pH = 7.4)

2.0221004

Log P

2.0221684

Molar Refractivity

36.7321

Polarizability

12.660215

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-(trifluoromethyl)aniline hydrochloride

IUPAC Traditional name

P-trifluoromethylaniline hydrochloride

Synonyms

alpha,alpha,alpha-Trifluoro-p-toluidine hydrochloride4-(Trifluoromethyl)aniline hydrochloride4-Aminobenzotrifluoride hydrochloride4-Aminobenzotrifluoride hydrochloride 97%4-Aminobenzotrifluoride hydrochloride4-(三氟甲基)苯胺盐酸盐α,α,α-Trifluoro-p-toluidine hydrochloride4-氨基三氟甲苯盐酸盐4-(Trifluoromethyl)aniline hydrochlorideα,α,α-三氟对甲苯胺盐酸盐4-三氟甲基苯胺盐酸盐

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

MDL Number

PubChem CID