CAS 23516-79-2|1-(4-Aminophenyl)-2,2,2-trifluoroethan-1-one|1-(4-Aminophenyl)-2,2,2-trifluoro-1-ethanone|1-(4-aminophenyl)-2,2,2-trifluoroethanone|4-(Trifluoroacetyl)aniline|1-(4-aminophenyl)-2,2,2-...

General Information

Structure

Molecular Formula

C₈H₆F₃NO

Molecular Mass

189.1345496

Exact Mass

189.04014848

Charge

InChI

InChI=1S/C8H6F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H,12H2

InChIKey

GHGLSQSKVJUUNZ-UHFFFAOYSA-N

Canonic Smiles

O=C(C(F)(F)F)c1ccc(cc1)N

Isomeric Smiles

C(=O)(c1ccc(N)cc1)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8341373

LogD (pH = 7.4)

1.8342941

Log P

1.834296

Molar Refractivity

42.1714

Polarizability

14.645983

Polar Surface Area

43.09

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-(4-Aminophenyl)-2,2,2-trifluoroethan-1-one1-(4-Aminophenyl)-2,2,2-trifluoro-1-ethanone4-(Trifluoroacetyl)aniline4'-Amino-2,2,2-trifluoroacetophenone4'-Amino-2,2,2-trifluoroacetophenone1-(4-Aminophenyl)-2,2,2-trifluoroethanone4-Aminophenyl Trifluoromethyl Ketone4-Trifluoroacetylanilinep-(Trifluoroacetyl)aniline

IUPAC Traditional name

1-(4-aminophenyl)-2,2,2-trifluoroethanone

IUPAC name

1-(4-aminophenyl)-2,2,2-trifluoroethan-1-one

Names and Identifiers

Registration numbers

CAS Number

23516-79-2

MDL Number

MFCD05663790

PubChem CID

90138