ChemSpider 2D Image | (1R,3S,4S)-3-Fluoro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | C10H15FO

(1R,3S,4S)-3-Fluoro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC10H15FO
  • Average mass170.224 Da
  • Monoisotopic mass170.110687 Da
  • ChemSpider ID61609304

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3S,4S)-3-Fluor-1,7,7-trimethylbicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1R,3S,4S)-3-Fluoro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1R,3S,4S)-3-Fluoro-1,7,7-triméthylbicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
75524-57-1 [RN]
Bicyclo[2.2.1]heptan-2-one, 3-fluoro-1,7,7-trimethyl-, (1R,3S,4S)- [ACD/Index Name]
rel-(1R,3S,4S)-3-Fluoro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 196.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±3.0 kJ/mol
Flash Point: 93.0±12.9 °C
Index of Refraction: 1.465
Molar Refractivity: 44.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.33
ACD/KOC (pH 5.5): 371.46
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.33
ACD/KOC (pH 7.4): 371.46
Polar Surface Area: 17 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 29.3±5.0 dyne/cm
Molar Volume: 160.8±5.0 cm3

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