ChemSpider 2D Image | 3-(3,4-Difluorophenyl)-5-(3-methyl-2-buten-1-yl)-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-c]pyridine | C17H18F2N2O

3-(3,4-Difluorophenyl)-5-(3-methyl-2-buten-1-yl)-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-c]pyridine

  • Molecular FormulaC17H18F2N2O
  • Average mass304.334 Da
  • Monoisotopic mass304.138733 Da
  • ChemSpider ID29616354

More details:

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

3-(3,4-Difluorophenyl)-5-(3-methyl-2-buten-1-yl)-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-c]pyridine [ACD/IUPAC Name]
3-(3,4-Difluorophényl)-5-(3-méthyl-2-butén-1-yl)-4,5,6,7-tétrahydro[1,2]oxazolo[4,5-c]pyridine [French] [ACD/IUPAC Name]
3-(3,4-Difluorphenyl)-5-(3-methyl-2-buten-1-yl)-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-c]pyridin [German] [ACD/IUPAC Name]
Isoxazolo[4,5-c]pyridine, 3-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-5-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
3-(3,4-difluorophenyl)-5-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.3±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 43.33
ACD/KOC (pH 5.5): 307.87
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 251.38
ACD/KOC (pH 7.4): 1786.18
Polar Surface Area: 29 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 257.6±3.0 cm3

Click to predict properties on the Chemicalize site


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