ChemSpider 2D Image | (2Z)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(pentafluorophenoxy)-1-azetidinyl]-2-propen-1-one | C20H14F5NO4

(2Z)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(pentafluorophenoxy)-1-azetidinyl]-2-propen-1-one

  • Molecular FormulaC20H14F5NO4
  • Average mass427.322 Da
  • Monoisotopic mass427.084290 Da
  • ChemSpider ID123095397

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(pentafluorophenoxy)-1-azetidinyl]-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(pentafluorophénoxy)-1-azétidinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2Z)-3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(pentafluorphenoxy)-1-azetidinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2,3,4,5,6-pentafluorophenoxy)-1-azetidinyl]-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.59
ACD/KOC (pH 5.5): 1491.77
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.59
ACD/KOC (pH 7.4): 1491.77
Polar Surface Area: 48 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

Click to predict properties on the Chemicalize site


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