ChemSpider 2D Image | 4-[3-(Trifluoromethyl)-3-diaziridinyl]-L-phenylalanine | C11H12F3N3O2

4-[3-(Trifluoromethyl)-3-diaziridinyl]-L-phenylalanine

  • Molecular FormulaC11H12F3N3O2
  • Average mass275.227 Da
  • Monoisotopic mass275.088165 Da
  • ChemSpider ID25057752
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[3-(Trifluormethyl)-3-diaziridinyl]-L-phenylalanin [German] [ACD/IUPAC Name]
4-[3-(Trifluoromethyl)-3-diaziridinyl]-L-phenylalanine [ACD/IUPAC Name]
4-[3-(Trifluorométhyl)-3-diaziridinyl]-L-phénylalanine [French] [ACD/IUPAC Name]
4-[3-(trifluoromethyl)diaziridin-3-yl]-L-phenylalanine
L-Phenylalanine, 4-[3-(trifluoromethyl)-3-diaziridinyl]- [ACD/Index Name]
T11

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

Density: 1.5±0.1 g/cm3
Boiling Point: 374.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 180.5±30.7 °C
Index of Refraction: 1.544
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

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