ChemSpider 2D Image | 1-[(tert-butoxy)carbonyl]-3-(difluoromethyl)azetidine-3-carboxylic acid | C10H15F2NO4

1-[(tert-butoxy)carbonyl]-3-(difluoromethyl)azetidine-3-carboxylic acid

  • Molecular FormulaC10H15F2NO4
  • Average mass251.227 Da
  • Monoisotopic mass251.096909 Da
  • ChemSpider ID49635710

More details:

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

1,3-Azetidinedicarboxylic acid, 3-(difluoromethyl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
1-[(tert-butoxy)carbonyl]-3-(difluoromethyl)azetidine-3-carboxylic acid
1784562-69-1 [RN]
3-(Difluormethyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
3-(Difluoromethyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
Acide 3-(difluorométhyl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(tert-butoxycarbonyl)-3-(difluoromethyl)azetidine-3-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 336.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.7±6.0 kJ/mol
Flash Point: 157.5±26.5 °C
Index of Refraction: 1.472
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 189.9±3.0 cm3

Click to predict properties on the Chemicalize site


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