ChemSpider 2D Image | [(3R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-3-(2-methylphenyl)-1-piperidinyl](2-piperidinyl)methanone | C27H30F6N2O2

[(3R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-3-(2-methylphenyl)-1-piperidinyl](2-piperidinyl)methanone

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID9888167
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

[(3R,4S)-4-{[3,5-Bis(trifluormethyl)benzyl]oxy}-3-(2-methylphenyl)-1-piperidinyl](2-piperidinyl)methanon [German] [ACD/IUPAC Name]
[(3R,4S)-4-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-3-(2-methylphenyl)-1-piperidinyl](2-piperidinyl)methanone [ACD/IUPAC Name]
[(3R,4S)-4-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-3-(2-méthylphényl)-1-pipéridinyl](2-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)-1-piperidinyl]-2-piperidinyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.7±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 10.90
ACD/KOC (pH 5.5): 27.05
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 187.00
ACD/KOC (pH 7.4): 464.06
Polar Surface Area: 42 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

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