ChemSpider 2D Image | N-(Trifluoroacetyl)-D-phenylalanine | C11H10F3NO3

N-(Trifluoroacetyl)-D-phenylalanine

  • Molecular FormulaC11H10F3NO3
  • Average mass261.197 Da
  • Monoisotopic mass261.061279 Da
  • ChemSpider ID50025852

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Phenylalanine, N-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
N-(2,2,2-Trifluoroacétyl)-D-phénylalanine [French] [ACD/IUPAC Name]
N-(Trifluoracetyl)-D-phenylalanin [German] [ACD/IUPAC Name]
N-(Trifluoroacetyl)-D-phenylalanine [ACD/IUPAC Name]
(R)-3-Phenyl-2-(2,2,2-trifluoroacetamido)propanoic acid
7656-14-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 396.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 193.7±27.9 °C
Index of Refraction: 1.497
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 189.1±3.0 cm3

Click to predict properties on the Chemicalize site


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