ChemSpider 2D Image | {3,5-Dioxo-4-[2-(trifluoromethyl)phenyl]-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl}methylene diacetate | C20H16F3NO7

{3,5-Dioxo-4-[2-(trifluoromethyl)phenyl]-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl}methylene diacetate

  • Molecular FormulaC20H16F3NO7
  • Average mass439.339 Da
  • Monoisotopic mass439.087891 Da
  • ChemSpider ID79941681

More details:

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

{3,5-Dioxo-4-[2-(trifluormethyl)phenyl]-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl}methylen-diacetat [German] [ACD/IUPAC Name]
{3,5-Dioxo-4-[2-(trifluoromethyl)phenyl]-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl}methylene diacetate [ACD/IUPAC Name]
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 4-[bis(acetyloxy)methyl]-3a,4,7,7a-tetrahydro-2-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
Diacétate de {3,5-dioxo-4-[2-(trifluorométhyl)phényl]-10-oxa-4-azatricyclo[5.2.1.02,6]déc-8-én-1-yl}méthylène [French] [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: 603.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.8±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.17
ACD/KOC (pH 5.5): 309.45
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.17
ACD/KOC (pH 7.4): 309.45
Polar Surface Area: 99 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 292.4±3.0 cm3

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