ChemSpider 2D Image | 4-[(1S,8aR)-3-Phenylhexahydro[1,3]oxazolo[3,4-a]pyridin-1-yl]-2,8-bis(trifluoromethyl)quinoline | C24H20F6N2O

4-[(1S,8aR)-3-Phenylhexahydro[1,3]oxazolo[3,4-a]pyridin-1-yl]-2,8-bis(trifluoromethyl)quinoline

  • Molecular FormulaC24H20F6N2O
  • Average mass466.419 Da
  • Monoisotopic mass466.147980 Da
  • ChemSpider ID28429478

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-[(1S,8aR)-3-Phenylhexahydro[1,3]oxazolo[3,4-a]pyridin-1-yl]-2,8-bis(trifluormethyl)chinolin [German] [ACD/IUPAC Name]
4-[(1S,8aR)-3-Phénylhexahydro[1,3]oxazolo[3,4-a]pyridin-1-yl]-2,8-bis(trifluorométhyl)quinoléine [French] [ACD/IUPAC Name]
4-[(1S,8aR)-3-Phenylhexahydro[1,3]oxazolo[3,4-a]pyridin-1-yl]-2,8-bis(trifluoromethyl)quinoline [ACD/IUPAC Name]
Quinoline, 4-[(1S,8aR)-hexahydro-3-phenyl-3H-oxazolo[3,4-a]pyridin-1-yl]-2,8-bis(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.7±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 7395.30
ACD/KOC (pH 5.5): 17863.42
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11838.43
ACD/KOC (pH 7.4): 28595.86
Polar Surface Area: 25 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 329.5±5.0 cm3

Click to predict properties on the Chemicalize site


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