ChemSpider 2D Image | cis-3-{[(4,4-Difluorocyclohexyl)carbonyl](methyl)amino}cyclobutanecarboxylic acid | C13H19F2NO3

cis-3-{[(4,4-Difluorocyclohexyl)carbonyl](methyl)amino}cyclobutanecarboxylic acid

  • Molecular FormulaC13H19F2NO3
  • Average mass275.292 Da
  • Monoisotopic mass275.133301 Da
  • ChemSpider ID79723419

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide cis-3-{[(4,4-difluorocyclohexyl)carbonyl](méthyl)amino}cyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-{[(4,4-Difluorcyclohexyl)carbonyl](methyl)amino}cyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-{[(4,4-Difluorocyclohexyl)carbonyl](methyl)amino}cyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-[[(4,4-difluorocyclohexyl)carbonyl]methylamino]-, cis- [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: 427.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 212.0±28.7 °C
Index of Refraction: 1.503
Molar Refractivity: 64.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

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