ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)benzyl]-4-(3-methyl-3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl)butanamide | C27H30F6N2O2

N-[3,5-Bis(trifluoromethyl)benzyl]-4-(3-methyl-3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl)butanamide

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID59000931

More details:

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

N-[3,5-Bis(trifluormethyl)benzyl]-4-(3-methyl-3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl)butanamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)benzyl]-4-(3-methyl-3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl)butanamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)benzyl]-4-(3-méthyl-3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl)butanamide [French] [ACD/IUPAC Name]
Spiro[1H-2-benzopyran-1,4'-piperidine]-1'-butanamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,4-dihydro-3-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 583.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.5±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 60.53
ACD/KOC (pH 5.5): 92.85
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 1115.24
ACD/KOC (pH 7.4): 1710.61
Polar Surface Area: 42 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 403.5±5.0 cm3

Click to predict properties on the Chemicalize site


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