ChemSpider 2D Image | 2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl 4-(trifluoromethoxy)benzoate | C19H16F3NO6

2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl 4-(trifluoromethoxy)benzoate

  • Molecular FormulaC19H16F3NO6
  • Average mass411.329 Da
  • Monoisotopic mass411.092987 Da
  • ChemSpider ID22006909

More details:

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

2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl 4-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl-4-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
4-(Trifluorométhoxy)benzoate de 2-[(2,3-dihydro-1,4-benzodioxin-2-ylméthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(trifluoromethoxy)-, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-2-oxoethyl ester [ACD/Index 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: 564.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.1±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.22
ACD/KOC (pH 5.5): 1370.05
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.22
ACD/KOC (pH 7.4): 1370.04
Polar Surface Area: 83 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


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