ChemSpider 2D Image | CP-601932 | C12H12F3N

CP-601932

  • Molecular FormulaC12H12F3N
  • Average mass227.226 Da
  • Monoisotopic mass227.092178 Da
  • ChemSpider ID32698547

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,8S)-4-(Trifluormethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
(1R,8S)-4-(Trifluoromethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
(1R,8S)-4-(Trifluorométhyl)-10-azatricyclo[6.3.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-7-(trifluoromethyl)-, (1S,5R)- [ACD/Index Name]
357425-68-4 [RN]
8EQZ26LUCA
CP-601932
(1R,8S)-4-(trifluoromethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CP-601932 (free base)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3341966/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 272.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 118.3±25.9 °C
Index of Refraction: 1.505
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 12 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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