ChemSpider 2D Image | 1-[5-(Difluoromethyl)-1,2-oxazol-3-yl]-N-{4-[(difluoromethyl)sulfanyl]benzyl}methanamine | C13H12F4N2OS

1-[5-(Difluoromethyl)-1,2-oxazol-3-yl]-N-{4-[(difluoromethyl)sulfanyl]benzyl}methanamine

  • Molecular FormulaC13H12F4N2OS
  • Average mass320.306 Da
  • Monoisotopic mass320.060638 Da
  • ChemSpider ID67877192

More details:

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

1-[5-(Difluormethyl)-1,2-oxazol-3-yl]-N-{4-[(difluormethyl)sulfanyl]benzyl}methanamin [German] [ACD/IUPAC Name]
1-[5-(Difluoromethyl)-1,2-oxazol-3-yl]-N-{4-[(difluoromethyl)sulfanyl]benzyl}methanamine [ACD/IUPAC Name]
1-[5-(Difluorométhyl)-1,2-oxazol-3-yl]-N-{4-[(difluorométhyl)sulfanyl]benzyl}méthanamine [French] [ACD/IUPAC Name]
3-Isoxazolemethanamine, 5-(difluoromethyl)-N-[[4-[(difluoromethyl)thio]phenyl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 380.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 183.9±27.9 °C
Index of Refraction: 1.532
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 19.21
ACD/KOC (pH 5.5): 195.65
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 72.79
ACD/KOC (pH 7.4): 741.35
Polar Surface Area: 63 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 233.4±5.0 cm3

Click to predict properties on the Chemicalize site


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