ChemSpider 2D Image | 3-Fluoro-4-(trifluoromethyl)-L-phenylalanine | C10H9F4NO2

3-Fluoro-4-(trifluoromethyl)-L-phenylalanine

  • Molecular FormulaC10H9F4NO2
  • Average mass251.178 Da
  • Monoisotopic mass251.056946 Da
  • ChemSpider ID66000195

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Fluor-4-(trifluormethyl)-L-phenylalanin [German] [ACD/IUPAC Name]
3-Fluoro-4-(trifluoromethyl)-L-phenylalanine [ACD/IUPAC Name]
3-Fluoro-4-(trifluorométhyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 3-fluoro-4-(trifluoromethyl)- [ACD/Index Name]
1215491-31-8 [RN]
3-Fluoro-4-(trifluoromethyl)-DL-phenylalanine [ACD/IUPAC Name]
JS-4333
p-trifluoromethyl-m-fluorophenylalanine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 314.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 144.1±27.9 °C
Index of Refraction: 1.488
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

Click to predict properties on the Chemicalize site


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