ChemSpider 2D Image | N~3~-(2,2-Difluoro-3-hydroxypropyl)-beta-alaninamide | C6H12F2N2O2

N3-(2,2-Difluoro-3-hydroxypropyl)-β-alaninamide

  • Molecular FormulaC6H12F2N2O2
  • Average mass182.169 Da
  • Monoisotopic mass182.086685 Da
  • ChemSpider ID57093789

More details:






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

N3-(2,2-Difluor-3-hydroxypropyl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-(2,2-Difluoro-3-hydroxypropyl)-β-alaninamide [ACD/IUPAC Name]
N3-(2,2-Difluoro-3-hydroxypropyl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(2,2-difluoro-3-hydroxypropyl)amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 202.0±28.7 °C
Index of Refraction: 1.446
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 75 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 145.6±3.0 cm3

Click to predict properties on the Chemicalize site






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