Found 212 results

Search term: MF = 'C_{28}H_{28}F_{2}N_{2}O_{2}'
ChemSpider 2D Image | 1-[(3R,3aR,7aS)-1-Benzyl-3-(3,4-difluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2-phenoxyethanone | C28H28F2N2O2

1-[(3R,3aR,7aS)-1-Benzyl-3-(3,4-difluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2-phenoxyethanone

  • Molecular FormulaC28H28F2N2O2
  • Average mass462.531 Da
  • Monoisotopic mass462.211884 Da
  • ChemSpider ID68416239

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(3R,3aR,7aS)-1-Benzyl-3-(3,4-difluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2-phenoxyethanone [ACD/IUPAC Name]
1-[(3R,3aR,7aS)-1-Benzyl-3-(3,4-difluorophényl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2-phénoxyéthanone [French] [ACD/IUPAC Name]
1-[(3R,3aR,7aS)-1-Benzyl-3-(3,4-difluorphenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2-phenoxyethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(3R,3aR,7aS)-3-(3,4-difluorophenyl)octahydro-1-(phenylmethyl)-5H-pyrrolo[3,2-c]pyridin-5-yl]-2-phenoxy- [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: 600.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 10.79
ACD/KOC (pH 5.5): 52.38
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 449.55
ACD/KOC (pH 7.4): 2182.85
Polar Surface Area: 33 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 373.4±3.0 cm3

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