ChemSpider 2D Image | 2-(2,3-Difluorophenyl)-1-[(3aR,4R,7aS)-4-hydroxy-4-phenyloctahydro-2H-isoindol-2-yl]ethanone | C22H23F2NO2

2-(2,3-Difluorophenyl)-1-[(3aR,4R,7aS)-4-hydroxy-4-phenyloctahydro-2H-isoindol-2-yl]ethanone

  • Molecular FormulaC22H23F2NO2
  • Average mass371.420 Da
  • Monoisotopic mass371.169678 Da
  • ChemSpider ID71352331

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(2,3-Difluorophenyl)-1-[(3aR,4R,7aS)-4-hydroxy-4-phenyloctahydro-2H-isoindol-2-yl]ethanone [ACD/IUPAC Name]
2-(2,3-Difluorophényl)-1-[(3aR,4R,7aS)-4-hydroxy-4-phényloctahydro-2H-isoindol-2-yl]éthanone [French] [ACD/IUPAC Name]
2-(2,3-Difluorphenyl)-1-[(3aR,4R,7aS)-4-hydroxy-4-phenyloctahydro-2H-isoindol-2-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(2,3-difluorophenyl)-1-[(3aR,4R,7aS)-octahydro-4-hydroxy-4-phenyl-2H-isoindol-2-yl]- [ACD/Index 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: 545.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 283.8±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.70
ACD/KOC (pH 5.5): 2420.18
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.70
ACD/KOC (pH 7.4): 2420.18
Polar Surface Area: 41 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 291.7±3.0 cm3

Click to predict properties on the Chemicalize site


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