ChemSpider 2D Image | (2R)-2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone | C13H16FNO

(2R)-2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone

  • Molecular FormulaC13H16FNO
  • Average mass221.271 Da
  • Monoisotopic mass221.121597 Da
  • ChemSpider ID107448000

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone [ACD/IUPAC Name]
(2R)-2-(2-Fluorophényl)-2-(méthylamino)cyclohexanone [French] [ACD/IUPAC Name]
(2R)-2-(2-Fluorphenyl)-2-(methylamino)cyclohexanon [German] [ACD/IUPAC Name]
Cyclohexanone, 2-(2-fluorophenyl)-2-(methylamino)-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 333.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 155.6±27.9 °C
Index of Refraction: 1.534
Molar Refractivity: 61.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.97
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 156.30
Polar Surface Area: 29 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 196.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement