ChemSpider 2D Image | 1-[4-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenyl-1-piperidinyl]-2-(1-pyrrolidinyl)ethanone | C27H30F6N2O2

1-[4-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenyl-1-piperidinyl]-2-(1-pyrrolidinyl)ethanone

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID8276771

More details:






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

1-[4-({[3,5-Bis(trifluormethyl)benzyl]oxy}methyl)-4-phenyl-1-piperidinyl]-2-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
1-[4-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenyl-1-piperidinyl]-2-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
1-[4-({[3,5-Bis(trifluorométhyl)benzyl]oxy}méthyl)-4-phényl-1-pipéridinyl]-2-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
1-[4-({[3,5-bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenylpiperidin-1-yl]-2-(pyrrolidin-1-yl)ethanone
Ethanone, 1-[4-[[[3,5-bis(trifluoromethyl)phenyl]methoxy]methyl]-4-phenyl-1-piperidinyl]-2-(1-pyrrolidinyl)- [ACD/Index Name]
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-2-pyrrolidin-1-yl-ethanone
CHEMBL143156

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.1±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 14.66
ACD/KOC (pH 5.5): 35.06
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 382.80
ACD/KOC (pH 7.4): 915.33
Polar Surface Area: 33 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 418.8±3.0 cm3

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