ChemSpider 2D Image | N-[4-(1,3-Benzodioxol-5-yloxy)-2-butyn-1-yl]-2,6-difluorobenzamide | C18H13F2NO4

N-[4-(1,3-Benzodioxol-5-yloxy)-2-butyn-1-yl]-2,6-difluorobenzamide

  • Molecular FormulaC18H13F2NO4
  • Average mass345.297 Da
  • Monoisotopic mass345.081268 Da
  • ChemSpider ID30755999

More details:

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

Benzamide, N-[4-(1,3-benzodioxol-5-yloxy)-2-butyn-1-yl]-2,6-difluoro- [ACD/Index Name]
N-[4-(1,3-Benzodioxol-5-yloxy)-2-butin-1-yl]-2,6-difluorbenzamid [German] [ACD/IUPAC Name]
N-[4-(1,3-Benzodioxol-5-yloxy)-2-butyn-1-yl]-2,6-difluorobenzamide [ACD/IUPAC Name]
N-[4-(1,3-Benzodioxol-5-yloxy)-2-butyn-1-yl]-2,6-difluorobenzamide [French] [ACD/IUPAC Name]
1428367-44-5 [RN]
N-(4-(benzo[d][1,3]dioxol-5-yloxy)but-2-yn-1-yl)-2,6-difluorobenzamide
N-[4-(2H-1,3-benzodioxol-5-yloxy)but-2-yn-1-yl]-2,6-difluorobenzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 487.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.17
ACD/KOC (pH 5.5): 699.58
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.16
ACD/KOC (pH 7.4): 699.48
Polar Surface Area: 57 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

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