ChemSpider 2D Image | 2-Methyl-2-propanyl 4,4-difluoro-5-hydroxy-1-azepanecarboxylate | C11H19F2NO3

2-Methyl-2-propanyl 4,4-difluoro-5-hydroxy-1-azepanecarboxylate

  • Molecular FormulaC11H19F2NO3
  • Average mass251.270 Da
  • Monoisotopic mass251.133301 Da
  • ChemSpider ID49546794

More details:

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

1H-Azepine-1-carboxylic acid, 4,4-difluorohexahydro-5-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4,4-difluoro-5-hydroxy-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4,4-difluor-5-hydroxy-1-azepancarboxylat [German] [ACD/IUPAC Name]
4,4-Difluoro-5-hydroxy-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1785523-74-1 [RN]
MFCD32859381
tert-butyl 4,4-difluoro-5-hydroxyazepane-1-carboxylate
tert-butyl4,4-difluoro-5-hydroxyazepane-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: 314.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 144.0±27.9 °C
Index of Refraction: 1.466
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 87.56
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 87.56
Polar Surface Area: 50 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 36.6±5.0 dyne/cm
Molar Volume: 210.9±5.0 cm3

Click to predict properties on the Chemicalize site


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