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

(1S,4S,7R)-7-(Fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC10H15FO
  • Average mass170.224 Da
  • Monoisotopic mass170.110687 Da
  • ChemSpider ID61629326

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4S,7R)-7-(Fluormethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1S,4S,7R)-7-(Fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1S,4S,7R)-7-(Fluorométhyl)-1,7-diméthylbicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 7-(fluoromethyl)-1,7-dimethyl-, (1S,4S,7R)- [ACD/Index Name]
2089957-60-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 218.3±5.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 98.4±7.9 °C
Index of Refraction: 1.464
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.45
ACD/KOC (pH 5.5): 343.10
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.45
ACD/KOC (pH 7.4): 343.10
Polar Surface Area: 17 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 161.4±3.0 cm3

Click to predict properties on the Chemicalize site


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