ChemSpider 2D Image | 1-[1-(Cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone | C28H33F3N2O3

1-[1-(Cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID80805762

More details:

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

1-[1-(Cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]-2-[3-(trifluormethyl)phenoxy]ethanon [German] [ACD/IUPAC Name]
1-[1-(Cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone [ACD/IUPAC Name]
1-[1-(Cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-décahydro-10H-1,10-benzodiazacyclotridécin-10-yl]-2-[3-(trifluorométhyl)phénoxy]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]-2-[3-(trifluoromethyl)phenoxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14572.46
ACD/KOC (pH 5.5): 33253.96
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14572.57
ACD/KOC (pH 7.4): 33254.22
Polar Surface Area: 50 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

Click to predict properties on the Chemicalize site


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