CAS 393-39-5|2-Amino-5-fluorobenzotrifluoride|4-fluoro-2-(trifluoromethyl)aniline|4-fluoro-2-(trifluoromethyl)aniline|2-Amino-5-fluorobenzotrifluoride 98%|4-Fluoro-2-(trifluoromethyl)aniline|4-氟-2-...

General Information

Structure

Molecular Formula

C₇H₅F₄N

Molecular Mass

179.1149128

Exact Mass

179.03581205

Charge

InChI

InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChIKey

LRCQLCWUUBSUOY-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c(c1)C(F)(F)F)N

Isomeric Smiles

c1(c(ccc(c1)F)N)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.164789

LogD (pH = 7.4)

2.1648693

Log P

2.1648703

Molar Refractivity

36.9485

Polarizability

12.584154

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Amino-5-fluorobenzotrifluoride2-Amino-5-fluorobenzotrifluoride 98%4-Fluoro-2-(trifluoromethyl)aniline4-氟-2-三氟甲基苯胺4-Fluoro-2-(trifluoromethyl)aniline4-Fluoro-2-(trifluoromethyl)aniline2-氨基-5-氟三氟甲苯α,α,α,4-Tetrafluoro-o-toluidine5-氟-2-氨基三氟甲苯2-Amino-5-fluorobenzotrifluoride2-氨基-5-氟三氟甲苯

IUPAC Traditional name

4-fluoro-2-(trifluoromethyl)aniline

IUPAC name

4-fluoro-2-(trifluoromethyl)aniline

Names and Identifiers

Registration numbers

EC Number

206-886-7

MDL Number

MFCD00007831

CAS Number

393-39-5