ChemSpider 2D Image | 3-{2-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione | C11H16FN3O4

3-{2-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione

  • Molecular FormulaC11H16FN3O4
  • Average mass273.261 Da
  • Monoisotopic mass273.112488 Da
  • ChemSpider ID78191185
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2,4-Imidazolidinedione, 3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-methyl- [ACD/Index Name]
3-{2-[(2S,4S)-4-Fluor-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidindion [German] [ACD/IUPAC Name]
3-{2-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione [ACD/IUPAC Name]
3-{2-[(2S,4S)-4-Fluoro-2-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-1-méthyl-2,4-imidazolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 456.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 229.7±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 62.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.72
Polar Surface Area: 81 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 187.5±5.0 cm3

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