ChemSpider 2D Image | 2-({3-[(2-Fluorobenzyl)oxy]-2-hydroxypropyl}amino)-1,3-propanediol | C13H20FNO4

2-({3-[(2-Fluorobenzyl)oxy]-2-hydroxypropyl}amino)-1,3-propanediol

  • Molecular FormulaC13H20FNO4
  • Average mass273.301 Da
  • Monoisotopic mass273.137634 Da
  • ChemSpider ID48579462

More details:

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

1,3-Propanediol, 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]- [ACD/Index Name]
2-({3-[(2-Fluorbenzyl)oxy]-2-hydroxypropyl}amino)-1,3-propandiol [German] [ACD/IUPAC Name]
2-({3-[(2-Fluorobenzyl)oxy]-2-hydroxypropyl}amino)-1,3-propanediol [ACD/IUPAC Name]
2-({3-[(2-Fluorobenzyl)oxy]-2-hydroxypropyl}amino)-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 233.1±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.38
Polar Surface Area: 82 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 217.4±3.0 cm3

Click to predict properties on the Chemicalize site


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