ChemSpider 2D Image | (3R)-2-Benzyl-3-(2-fluoro-5-methylphenyl)-7-phenyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one | C28H26FNO

(3R)-2-Benzyl-3-(2-fluoro-5-methylphenyl)-7-phenyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one

  • Molecular FormulaC28H26FNO
  • Average mass411.510 Da
  • Monoisotopic mass411.199829 Da
  • ChemSpider ID25025149

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(3R)-2-Benzyl-3-(2-fluor-5-methylphenyl)-7-phenyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-on [German] [ACD/IUPAC Name]
(3R)-2-Benzyl-3-(2-fluoro-5-methylphenyl)-7-phenyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one [ACD/IUPAC Name]
(3R)-2-Benzyl-3-(2-fluoro-5-méthylphényl)-7-phényl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 3-(2-fluoro-5-methylphenyl)-2,3,3a,6,7,7a-hexahydro-7-phenyl-2-(phenylmethyl)-, (3R)- [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: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11290.16
ACD/KOC (pH 5.5): 27702.03
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11290.16
ACD/KOC (pH 7.4): 27702.03
Polar Surface Area: 20 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

Click to predict properties on the Chemicalize site


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