ChemSpider 2D Image | 3-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]-2-azepanone | C13H14F2N2O3

3-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]-2-azepanone

  • Molecular FormulaC13H14F2N2O3
  • Average mass284.259 Da
  • Monoisotopic mass284.097260 Da
  • ChemSpider ID22108186

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-Azepin-2-one, 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]hexahydro- [ACD/Index Name]
3-[(2,2-Difluor-1,3-benzodioxol-5-yl)amino]-2-azepanon [German] [ACD/IUPAC Name]
3-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]-2-azepanone [ACD/IUPAC Name]
3-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]-2-azépanone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 453.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.81
ACD/KOC (pH 5.5): 122.56
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.82
ACD/KOC (pH 7.4): 122.74
Polar Surface Area: 60 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 202.6±5.0 cm3

Click to predict properties on the Chemicalize site


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