ChemSpider 2D Image | Benzyl 5,6,7,8,9,10-hexafluoro-3-phenylimidazo[1,5-a]azocine-1-carboxylate | C23H12F6N2O2

Benzyl 5,6,7,8,9,10-hexafluoro-3-phenylimidazo[1,5-a]azocine-1-carboxylate

  • Molecular FormulaC23H12F6N2O2
  • Average mass462.344 Da
  • Monoisotopic mass462.080292 Da
  • ChemSpider ID30659105

  • Double-bond stereo - Double-bond stereo

More details:

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

5,6,7,8,9,10-Hexafluoro-3-phénylimidazo[1,5-a]azocine-1-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5,6,7,8,9,10-hexafluoro-3-phenylimidazo[1,5-a]azocine-1-carboxylate [ACD/IUPAC Name]
Benzyl-5,6,7,8,9,10-hexafluor-3-phenylimidazo[1,5-a]azocin-1-carboxylat [German] [ACD/IUPAC Name]
Imidazo[1,5-a]azocine-1-carboxylic acid, 5,6,7,8,9,10-hexafluoro-3-phenyl-, phenylmethyl ester [ACD/Index 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: 688.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 106.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10493.04
ACD/KOC (pH 5.5): 26287.59
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10493.04
ACD/KOC (pH 7.4): 26287.59
Polar Surface Area: 44 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 37.2±7.0 dyne/cm
Molar Volume: 325.1±7.0 cm3

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