ChemSpider 2D Image | Methyl 4-{(1E)-3-oxo-3-[3-(pentafluorophenoxy)-1-azetidinyl]-1-propen-1-yl}benzoate | C20H14F5NO4

Methyl 4-{(1E)-3-oxo-3-[3-(pentafluorophenoxy)-1-azetidinyl]-1-propen-1-yl}benzoate

  • Molecular FormulaC20H14F5NO4
  • Average mass427.322 Da
  • Monoisotopic mass427.084290 Da
  • ChemSpider ID123099447

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(1E)-3-Oxo-3-[3-(pentafluorophénoxy)-1-azétidinyl]-1-propén-1-yl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1E)-3-oxo-3-[3-(2,3,4,5,6-pentafluorophenoxy)-1-azetidinyl]-1-propen-1-yl]-, methyl ester [ACD/Index Name]
Methyl 4-{(1E)-3-oxo-3-[3-(pentafluorophenoxy)-1-azetidinyl]-1-propen-1-yl}benzoate [ACD/IUPAC Name]
Methyl-4-{(1E)-3-oxo-3-[3-(pentafluorphenoxy)-1-azetidinyl]-1-propen-1-yl}benzoat [German] [ACD/IUPAC 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: 545.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.05
ACD/KOC (pH 5.5): 2536.28
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.05
ACD/KOC (pH 7.4): 2536.28
Polar Surface Area: 56 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 290.6±3.0 cm3

Click to predict properties on the Chemicalize site


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