ChemSpider 2D Image | (1R,2S)-2-{[(4,4-Difluorocyclohexyl)carbonyl]amino}cyclopentanecarboxylic acid | C13H19F2NO3

(1R,2S)-2-{[(4,4-Difluorocyclohexyl)carbonyl]amino}cyclopentanecarboxylic acid

  • Molecular FormulaC13H19F2NO3
  • Average mass275.292 Da
  • Monoisotopic mass275.133301 Da
  • ChemSpider ID57871803

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-{[(4,4-Difluorcyclohexyl)carbonyl]amino}cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-{[(4,4-Difluorocyclohexyl)carbonyl]amino}cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2S)-2-{[(4,4-difluorocyclohexyl)carbonyl]amino}cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[[(4,4-difluorocyclohexyl)carbonyl]amino]-, (1R,2S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.9±6.0 kJ/mol
Flash Point: 245.6±28.7 °C
Index of Refraction: 1.498
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.43
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 217.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement