4-Acetamido-2-nitro-beta,beta,beta|4-(Acetylamino)-2-nitro-beta,beta,beta-trifluorophenetole|N-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]acetamide|N-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]acetamide...

General Information

Structure

Molecular Formula

C₁₀H₉F₃N₂O₄

Molecular Mass

278.1846696

Exact Mass

278.05144144

Charge

InChI

InChI=1S/C10H9F3N2O4/c1-6(16)14-7-2-3-9(8(4-7)15(17)18)19-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,16)

InChIKey

ZTJXKISMOXAYFP-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])OCC(F)(F)F

Isomeric Smiles

[N+](=O)(c1c(ccc(c1)NC(=O)C)OCC(F)(F)F)[O-]

Calculated Properties

JChem

Acid pKa

14.137273

H Acceptors

H Donor

LogD (pH = 5.5)

1.9483653

LogD (pH = 7.4)

1.9483652

Log P

1.9483653

Molar Refractivity

60.159

Polarizability

21.14898

Polar Surface Area

84.15

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

4-Acetamido-2-nitro-beta,beta,beta4-(Acetylamino)-2-nitro-beta,beta,beta-trifluorophenetole3'-Nitro-4'-(2,2,2-trifluoroethoxy)acetanilideN-[3-Nitro-4-(2,2,2-trifluoroethoxy)phenyl]acetamide5-(Acetylamino)-2-(2,2,2-trifluoroethoxy)nitrobenzene5-Acetamido-2-(2,2,2-trifluoroethoxy)nitrobenzene

IUPAC Traditional name

N-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

IUPAC name

N-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]acetamide

Names and Identifiers

Registration numbers

PubChem CID

71300083

PubChem SID

162104965

Registration numbers

Properties