ChemSpider 2D Image | 1-[(4,4-Difluorocyclohexyl)carbonyl]-3-fluoro-3-pyrrolidinecarboxylic acid | C12H16F3NO3

1-[(4,4-Difluorocyclohexyl)carbonyl]-3-fluoro-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC12H16F3NO3
  • Average mass279.255 Da
  • Monoisotopic mass279.108215 Da
  • ChemSpider ID54582579

More details:

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

1-[(4,4-Difluorcyclohexyl)carbonyl]-3-fluor-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-[(4,4-Difluorocyclohexyl)carbonyl]-3-fluoro-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[(4,4-difluorocyclohexyl)carbonyl]-3-fluoro- [ACD/Index Name]
Acide 1-[(4,4-difluorocyclohexyl)carbonyl]-3-fluoro-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 426.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 211.4±28.7 °C
Index of Refraction: 1.495
Molar Refractivity: 59.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
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): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 204.3±5.0 cm3

Click to predict properties on the Chemicalize site


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