ChemSpider 2D Image | (8S,11S)-4-(Trifluoromethyl)tricyclo[6.2.1.0~2,7~]undeca-2,4,6-trien-11-amine | C12H12F3N

(8S,11S)-4-(Trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-amine

  • Molecular FormulaC12H12F3N
  • Average mass227.226 Da
  • Monoisotopic mass227.092178 Da
  • ChemSpider ID23161644
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(8S,11S)-4-(Trifluormethyl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-amin [German] [ACD/IUPAC Name]
(8S,11S)-4-(Trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-amine [ACD/IUPAC Name]
(8S,11S)-4-(Trifluorométhyl)tricyclo[6.2.1.02,7]undéca-2,4,6-trién-11-amine [French] [ACD/IUPAC Name]
1,4-Methanonaphthalen-9-amine, 1,2,3,4-tetrahydro-6-(trifluoromethyl)-, (1S,9S)- [ACD/Index Name]
6-Trifluoromethyl-1,2,3,4-tetrahydro-1,4-methano-naphthalen-9-ylamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 261.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 114.0±20.1 °C
Index of Refraction: 1.528
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 30.53
Polar Surface Area: 26 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

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