ChemSpider 2D Image | 4-(2,2,2-Trifluoroethyl)-L-phenylalanine | C11H12F3NO2

4-(2,2,2-Trifluoroethyl)-L-phenylalanine

  • Molecular FormulaC11H12F3NO2
  • Average mass247.214 Da
  • Monoisotopic mass247.082016 Da
  • ChemSpider ID25058094

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(2,2,2-Trifluorethyl)-L-phenylalanin [German] [ACD/IUPAC Name]
4-(2,2,2-Trifluoroethyl)-L-phenylalanine [ACD/IUPAC Name]
4-(2,2,2-Trifluoroéthyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 4-(2,2,2-trifluoroethyl)- [ACD/Index Name]
(2S)-2-amino-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid
TFQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 319.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 146.9±27.9 °C
Index of Refraction: 1.507
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 186.6±3.0 cm3

Click to predict properties on the Chemicalize site


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