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Search term: WKPDYLGFSSHKQK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[3-Ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine | C12H16F3NO2

2-[3-Ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine

  • Molecular FormulaC12H16F3NO2
  • Average mass263.256 Da
  • Monoisotopic mass263.113312 Da
  • ChemSpider ID25997294

More details:

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

2-[3-Ethoxy-4-(2,2,2-trifluorethoxy)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[3-Ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine [ACD/IUPAC Name]
2-[3-Éthoxy-4-(2,2,2-trifluoroéthoxy)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3-ethoxy-4-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
1182930-66-0 [RN]
2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine
MFCD12870792 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 299.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.9±27.3 °C
Index of Refraction: 1.471
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.20
Polar Surface Area: 44 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 223.3±3.0 cm3

Click to predict properties on the Chemicalize site


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