ChemSpider 2D Image | (1R,2R)-2-(Difluoromethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylic acid | C10H15F2NO4

(1R,2R)-2-(Difluoromethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylic acid

  • Molecular FormulaC10H15F2NO4
  • Average mass251.227 Da
  • Monoisotopic mass251.096909 Da
  • ChemSpider ID57385812

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-(Difluormethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-(Difluoromethyl)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-(difluorométhyl)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-(difluoromethyl)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2R)- [ACD/Index Name]
(1R,2R)-1-((tert-Butoxycarbonyl)amino)-2-(difluoromethyl)cyclopropanecarboxylic acid
(1R,2R)-1-[(tert-butoxycarbonyl)amino]-2-(difluoromethyl)cyclopropane-1-carboxylic acid
(1R,2R)-1-{[(tert-butoxy)carbonyl]amino}-2-(difluoromethyl)cyclopropane-1-carboxylic acid
1152134-45-6 [RN]
C10H15F2NO4
MFCD29920658

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.4±6.0 kJ/mol
Flash Point: 175.9±23.7 °C
Index of Refraction: 1.467
Molar Refractivity: 53.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 39.2±5.0 dyne/cm
Molar Volume: 193.3±5.0 cm3

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