ChemSpider 2D Image | 2,2,2-Trifluoroethyl (3-oxo-3-{[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino}propyl)carbamate | C18H21F6N3O3

2,2,2-Trifluoroethyl (3-oxo-3-{[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino}propyl)carbamate

  • Molecular FormulaC18H21F6N3O3
  • Average mass441.368 Da
  • Monoisotopic mass441.148712 Da
  • ChemSpider ID48202757

More details:

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

(3-Oxo-3-{[2-(1-pipéridinyl)-5-(trifluorométhyl)phényl]amino}propyl)carbamate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
2,2,2-Trifluorethyl-(3-oxo-3-{[2-(1-piperidinyl)-5-(trifluormethyl)phenyl]amino}propyl)carbamat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl (3-oxo-3-{[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino}propyl)carbamate [ACD/IUPAC Name]
Carbamic acid, N-[3-oxo-3-[[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino]propyl]-, 2,2,2-trifluoroethyl ester [ACD/Index 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: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.498
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1344.71
ACD/KOC (pH 5.5): 5998.21
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1377.52
ACD/KOC (pH 7.4): 6144.56
Polar Surface Area: 71 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement