ChemSpider 2D Image | 2-[(2-Allyl-4-pentenoyl)amino]-4,4-difluorobutanoic acid | C12H17F2NO3

2-[(2-Allyl-4-pentenoyl)amino]-4,4-difluorobutanoic acid

  • Molecular FormulaC12H17F2NO3
  • Average mass261.265 Da
  • Monoisotopic mass261.117645 Da
  • ChemSpider ID58058072

More details:

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

2-[(2-Allyl-4-pentenoyl)amino]-4,4-difluorbutansäure [German] [ACD/IUPAC Name]
2-[(2-Allyl-4-pentenoyl)amino]-4,4-difluorobutanoic acid [ACD/IUPAC Name]
Acide 2-[(2-allyl-4-pentenoyl)amino]-4,4-difluorobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4,4-difluoro-2-[[1-oxo-2-(2-propen-1-yl)-4-penten-1-yl]amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 214.0±28.7 °C
Index of Refraction: 1.457
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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