ChemSpider 2D Image | Methyl (1S,3R)-3-{[(3,3-difluorocyclopentyl)carbonyl]amino}cyclopentanecarboxylate | C13H19F2NO3

Methyl (1S,3R)-3-{[(3,3-difluorocyclopentyl)carbonyl]amino}cyclopentanecarboxylate

  • Molecular FormulaC13H19F2NO3
  • Average mass275.292 Da
  • Monoisotopic mass275.133301 Da
  • ChemSpider ID78063738

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,3R)-3-{[(3,3-Difluorocyclopentyl)carbonyl]amino}cyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[[(3,3-difluorocyclopentyl)carbonyl]amino]-, methyl ester, (1S,3R)- [ACD/Index Name]
Methyl (1S,3R)-3-{[(3,3-difluorocyclopentyl)carbonyl]amino}cyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-(1S,3R)-3-{[(3,3-difluorcyclopentyl)carbonyl]amino}cyclopentancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 407.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.3±28.7 °C
Index of Refraction: 1.477
Molar Refractivity: 64.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 114.52
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 114.52
Polar Surface Area: 55 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 226.2±5.0 cm3

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