ChemSpider 2D Image | 1,3-Dihydro-7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-2H-1,4-benzodiazepin-2-one | C17H10F6N2O

1,3-Dihydro-7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC17H10F6N2O
  • Average mass372.264 Da
  • Monoisotopic mass372.069733 Da
  • ChemSpider ID23176441

More details:

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

1,3-Dihydro-7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-2H-1,4-benzodiazepin-2-one
2797-22-0 [RN]
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
7-(Trifluormethyl)-5-[2-(trifluormethyl)phenyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-(Trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-(Trifluorométhyl)-5-[2-(trifluorométhyl)phényl]-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 431.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.8±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 80.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.70
ACD/KOC (pH 5.5): 2135.87
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 314.74
ACD/KOC (pH 7.4): 2136.15
Polar Surface Area: 41 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 255.5±7.0 cm3

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