ChemSpider 2D Image | 1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-5-(2-{[2-(4-fluorophenoxy)ethyl]amino}ethyl)-2-pyrrolidinone | C21H31FN2O3

1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-5-(2-{[2-(4-fluorophenoxy)ethyl]amino}ethyl)-2-pyrrolidinone

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID22229814

More details:

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

1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-5-(2-{[2-(4-fluorophenoxy)ethyl]amino}ethyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-(2,2-Diméthyltétrahydro-2H-pyran-4-yl)-5-(2-{[2-(4-fluorophénoxy)éthyl]amino}éthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-5-(2-{[2-(4-fluorphenoxy)ethyl]amino}ethyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
2-Pyrrolidinone, 5-[2-[[2-(4-fluorophenoxy)ethyl]amino]ethyl]-1-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.5±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.37
Polar Surface Area: 51 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

Click to predict properties on the Chemicalize site


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