ChemSpider 2D Image | (1R,4R)-3,3-Bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile | C11H8F6N2

(1R,4R)-3,3-Bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile

  • Molecular FormulaC11H8F6N2
  • Average mass282.185 Da
  • Monoisotopic mass282.059174 Da
  • ChemSpider ID114815628

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4R)-3,3-Bis(trifluormethyl)bicyclo[2.2.1]heptan-2,2-dicarbonitril [German] [ACD/IUPAC Name]
(1R,4R)-3,3-Bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile [ACD/IUPAC Name]
(1R,4R)-3,3-Bis(trifluorométhyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2,2-dicarbonitrile, 3,3-bis(trifluoromethyl)-, (1R,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 301.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.1±3.0 kJ/mol
Flash Point: 136.0±27.9 °C
Index of Refraction: 1.423
Molar Refractivity: 49.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.48
ACD/KOC (pH 5.5): 1080.69
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.48
ACD/KOC (pH 7.4): 1080.69
Polar Surface Area: 48 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 33.2±5.0 dyne/cm
Molar Volume: 194.2±5.0 cm3

Click to predict properties on the Chemicalize site


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