ChemSpider 2D Image | 2-Methyl-2-propanyl 3-cyano-3-(difluoromethyl)-1-azetidinecarboxylate | C10H14F2N2O2

2-Methyl-2-propanyl 3-cyano-3-(difluoromethyl)-1-azetidinecarboxylate

  • Molecular FormulaC10H14F2N2O2
  • Average mass232.227 Da
  • Monoisotopic mass232.102341 Da
  • ChemSpider ID71046241

More details:

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

1-Azetidinecarboxylic acid, 3-cyano-3-(difluoromethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-cyano-3-(difluoromethyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-cyan-3-(difluormethyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Cyano-3-(difluorométhyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2112770-47-3 [RN]
tert-butyl 3-cyano-3-(difluoromethyl)azetidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 308.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.1±26.5 °C
Index of Refraction: 1.460
Molar Refractivity: 52.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 108.04
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 108.04
Polar Surface Area: 53 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 190.8±5.0 cm3

Click to predict properties on the Chemicalize site


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