ChemSpider 2D Image | 2-Phenyl-4-[4-(trifluoromethyl)benzyl]-1,3,4-benzoxadiazepin-5(4H)-one | C22H15F3N2O2

2-Phenyl-4-[4-(trifluoromethyl)benzyl]-1,3,4-benzoxadiazepin-5(4H)-one

  • Molecular FormulaC22H15F3N2O2
  • Average mass396.362 Da
  • Monoisotopic mass396.108551 Da
  • ChemSpider ID29204357

More details:

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

1,3,4-Benzoxadiazepin-5(4H)-one, 2-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-Phenyl-4-[4-(trifluormethyl)benzyl]-1,3,4-benzoxadiazepin-5(4H)-on [German] [ACD/IUPAC Name]
2-Phenyl-4-[4-(trifluoromethyl)benzyl]-1,3,4-benzoxadiazepin-5(4H)-one [ACD/IUPAC Name]
2-Phényl-4-[4-(trifluorométhyl)benzyl]-1,3,4-benzoxadiazépin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.7±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4582.26
ACD/KOC (pH 5.5): 14527.60
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4582.26
ACD/KOC (pH 7.4): 14527.60
Polar Surface Area: 42 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 305.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement