ChemSpider 2D Image | N-[5-Fluoro-2-(2,2,2-trifluoroethoxy)benzyl]ethanamine | C11H13F4NO

N-[5-Fluoro-2-(2,2,2-trifluoroethoxy)benzyl]ethanamine

  • Molecular FormulaC11H13F4NO
  • Average mass251.221 Da
  • Monoisotopic mass251.093323 Da
  • ChemSpider ID58598818

More details:

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

1096895-24-7 [RN]
Benzenemethanamine, N-ethyl-5-fluoro-2-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
N-[5-Fluor-2-(2,2,2-trifluorethoxy)benzyl]ethanamin [German] [ACD/IUPAC Name]
N-[5-Fluoro-2-(2,2,2-trifluoroethoxy)benzyl]ethanamine [ACD/IUPAC Name]
N-[5-Fluoro-2-(2,2,2-trifluoroéthoxy)benzyl]éthanamine [French] [ACD/IUPAC Name]
N-Ethyl-5-fluoro-2-(2,2,2-trifluoroethoxy)benzenemethanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 245.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 102.2±27.3 °C
Index of Refraction: 1.447
Molar Refractivity: 55.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 16.77
Polar Surface Area: 21 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 27.7±3.0 dyne/cm
Molar Volume: 208.7±3.0 cm3

Click to predict properties on the Chemicalize site


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