ChemSpider 2D Image | 4,4,4-Trifluoro-1-[(4aR,8aS)-6-(4-phenylbutanoyl)octahydro-1,6-naphthyridin-1(2H)-yl]-1-butanone | C22H29F3N2O2

4,4,4-Trifluoro-1-[(4aR,8aS)-6-(4-phenylbutanoyl)octahydro-1,6-naphthyridin-1(2H)-yl]-1-butanone

  • Molecular FormulaC22H29F3N2O2
  • Average mass410.473 Da
  • Monoisotopic mass410.218109 Da
  • ChemSpider ID23041247

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Butanone, 4,4,4-trifluoro-1-[(4aR,8aS)-octahydro-6-(1-oxo-4-phenylbutyl)-1,6-naphthyridin-1(2H)-yl]- [ACD/Index Name]
4,4,4-Trifluor-1-[(4aR,8aS)-6-(4-phenylbutanoyl)octahydro-1,6-naphthyridin-1(2H)-yl]-1-butanon [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-[(4aR,8aS)-6-(4-phenylbutanoyl)octahydro-1,6-naphthyridin-1(2H)-yl]-1-butanone [ACD/IUPAC Name]
4,4,4-Trifluoro-1-[(4aR,8aS)-6-(4-phénylbutanoyl)octahydro-1,6-naphtyridin-1(2H)-yl]-1-butanone [French] [ACD/IUPAC Name]
(4aR*,8aS*)-6-(4-phenylbutanoyl)-1-(4,4,4-trifluorobutanoyl)decahydro-1,6-naphthyridine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.7±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 603.18
ACD/KOC (pH 5.5): 3402.86
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 603.18
ACD/KOC (pH 7.4): 3402.88
Polar Surface Area: 41 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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