ChemSpider 2D Image | 2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2,2-difluoroacetic acid | C10H15F2NO4

2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2,2-difluoroacetic acid

  • Molecular FormulaC10H15F2NO4
  • Average mass251.227 Da
  • Monoisotopic mass251.096909 Da
  • ChemSpider ID49635711

More details:

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

1781091-41-5 [RN]
2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-2,2-difluoroacetic acid
3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α,α-difluoro- [ACD/Index Name]
Acide difluoro(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azétidinyl)acétique [French] [ACD/IUPAC Name]
Difluor(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)essigsäure [German] [ACD/IUPAC Name]
Difluoro(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)acetic acid [ACD/IUPAC Name]
3-(Carboxy-difluoro-methyl)-azetidine-1-carboxylic acid tert-butyl ester
MFCD30737506

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±27.0 °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±23.7 °C
Index of Refraction: 1.476
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 188.0±3.0 cm3

Click to predict properties on the Chemicalize site


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