ChemSpider 2D Image | N-[5-(4-Fluorophenoxy)-8-isoquinolinyl]-1-(2,2,2-trifluoroethyl)-3-pyrrolidinecarboxamide | C22H19F4N3O2

N-[5-(4-Fluorophenoxy)-8-isoquinolinyl]-1-(2,2,2-trifluoroethyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC22H19F4N3O2
  • Average mass433.399 Da
  • Monoisotopic mass433.141327 Da
  • ChemSpider ID81148950

More details:

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

3-Pyrrolidinecarboxamide, N-[5-(4-fluorophenoxy)-8-isoquinolinyl]-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
N-[5-(4-Fluorophénoxy)-8-isoquinoléinyl]-1-(2,2,2-trifluoroéthyl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-[5-(4-Fluorophenoxy)-8-isoquinolinyl]-1-(2,2,2-trifluoroethyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[5-(4-Fluorphenoxy)-8-isochinolinyl]-1-(2,2,2-trifluorethyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC 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: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 237.64
ACD/KOC (pH 5.5): 1555.64
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.17
ACD/KOC (pH 7.4): 2325.01
Polar Surface Area: 54 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 314.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement