ChemSpider 2D Image | (2,4-Difluorophenyl)[(2R,3aR,4R,5R,8aR)-4,5-dihydroxy-3a-methyl-2-phenyloctahydrocyclohepta[b]pyrrol-1(2H)-yl]methanone | C23H25F2NO3

(2,4-Difluorophenyl)[(2R,3aR,4R,5R,8aR)-4,5-dihydroxy-3a-methyl-2-phenyloctahydrocyclohepta[b]pyrrol-1(2H)-yl]methanone

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID60584567

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2,4-Difluorophenyl)[(2R,3aR,4R,5R,8aR)-4,5-dihydroxy-3a-methyl-2-phenyloctahydrocyclohepta[b]pyrrol-1(2H)-yl]methanone [ACD/IUPAC Name]
(2,4-Difluorophényl)[(2R,3aR,4R,5R,8aR)-4,5-dihydroxy-3a-méthyl-2-phényloctahydrocyclohepta[b]pyrrol-1(2H)-yl]méthanone [French] [ACD/IUPAC Name]
(2,4-Difluorphenyl)[(2R,3aR,4R,5R,8aR)-4,5-dihydroxy-3a-methyl-2-phenyloctahydrocyclohepta[b]pyrrol-1(2H)-yl]methanon [German] [ACD/IUPAC Name]
Methanone, (2,4-difluorophenyl)[(2R,3aR,4R,5R,8aR)-octahydro-4,5-dihydroxy-3a-methyl-2-phenylcyclohepta[b]pyrrol-1(2H)-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: 553.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.99
ACD/KOC (pH 5.5): 636.57
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.99
ACD/KOC (pH 7.4): 636.57
Polar Surface Area: 61 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site


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