ChemSpider 2D Image | 2-[(3R,5R)-Adamantan-1-yl]-1-[(1S)-1-(trifluoromethyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethanone | C24H27F3N2O

2-[(3R,5R)-Adamantan-1-yl]-1-[(1S)-1-(trifluoromethyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]ethanone

  • Molecular FormulaC24H27F3N2O
  • Average mass416.479 Da
  • Monoisotopic mass416.207550 Da
  • ChemSpider ID79942750

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-[(3R,5R)-Adamantan-1-yl]-1-[(1S)-1-(trifluormethyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]ethanon [German] [ACD/IUPAC Name]
2-[(3R,5R)-Adamantan-1-yl]-1-[(1S)-1-(trifluoromethyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]ethanone [ACD/IUPAC Name]
2-[(3R,5R)-Adamantan-1-yl]-1-[(1S)-1-(trifluorométhyl)-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1S)-1,3,4,9-tetrahydro-1-(trifluoromethyl)-2H-pyrido[3,4-b]indol-2-yl]-2-[(3R,5R)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.3±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10136.75
ACD/KOC (pH 5.5): 25645.54
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10136.75
ACD/KOC (pH 7.4): 25645.54
Polar Surface Area: 36 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

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