ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide | C21H17F6NO4

N-[3,5-Bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID126290199

More details:

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

Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-7-yl)oxy]- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-2-[(2,2-diméthyl-4-oxo-3,4-dihydro-2H-chromén-7-yl)oxy]acétamide [French] [ACD/IUPAC 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: 532.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.0±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4181.41
ACD/KOC (pH 5.5): 13606.19
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4181.33
ACD/KOC (pH 7.4): 13605.91
Polar Surface Area: 65 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

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