ChemSpider 2D Image | (4S)-4-[4-(4-Fluorophenyl)-1H-1,2,3-triazol-1-yl]-L-proline | C13H13FN4O2

(4S)-4-[4-(4-Fluorophenyl)-1H-1,2,3-triazol-1-yl]-L-proline

  • Molecular FormulaC13H13FN4O2
  • Average mass276.266 Da
  • Monoisotopic mass276.102264 Da
  • ChemSpider ID29664836

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
(4S)-4-[4-(4-Fluorophenyl)-1H-1,2,3-triazol-1-yl]-L-proline [ACD/IUPAC Name]
(4S)-4-[4-(4-Fluorophényl)-1H-1,2,3-triazol-1-yl]-L-proline [French] [ACD/IUPAC Name]
(4S)-4-[4-(4-Fluorphenyl)-1H-1,2,3-triazol-1-yl]-L-prolin [German] [ACD/IUPAC Name]
L-Proline, 4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-, (4S)- [ACD/Index Name]
(2S,4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 530.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.8±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 69.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 178.8±7.0 cm3

Click to predict properties on the Chemicalize site


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