ChemSpider 2D Image | [4-({[(3R,4S)-4-Ethoxytetrahydro-3-furanyl]amino}methyl)-3-fluorophenyl]boronic acid | C13H19BFNO4

[4-({[(3R,4S)-4-Ethoxytetrahydro-3-furanyl]amino}methyl)-3-fluorophenyl]boronic acid

  • Molecular FormulaC13H19BFNO4
  • Average mass283.104 Da
  • Monoisotopic mass283.139130 Da
  • ChemSpider ID72980608

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-({[(3R,4S)-4-Ethoxytetrahydro-3-furanyl]amino}methyl)-3-fluorophenyl]boronic acid [ACD/IUPAC Name]
[4-({[(3R,4S)-4-Ethoxytetrahydro-3-furanyl]amino}methyl)-3-fluorphenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-({[(3R,4S)-4-éthoxytétrahydro-3-furanyl]amino}méthyl)-3-fluorophényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[[[(3R,4S)-4-ethoxytetrahydro-3-furanyl]amino]methyl]-3-fluorophenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 222.1±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.02
Polar Surface Area: 71 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 228.7±5.0 cm3

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