ChemSpider 2D Image | 8-Nitro-5-[(3S)-3-(trifluoromethyl)-1-piperidinyl]isoquinoline | C15H14F3N3O2

8-Nitro-5-[(3S)-3-(trifluoromethyl)-1-piperidinyl]isoquinoline

  • Molecular FormulaC15H14F3N3O2
  • Average mass325.286 Da
  • Monoisotopic mass325.103821 Da
  • ChemSpider ID70706209

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

8-Nitro-5-[(3S)-3-(trifluormethyl)-1-piperidinyl]isochinolin [German] [ACD/IUPAC Name]
8-Nitro-5-[(3S)-3-(trifluorométhyl)-1-pipéridinyl]isoquinoléine [French] [ACD/IUPAC Name]
8-Nitro-5-[(3S)-3-(trifluoromethyl)-1-piperidinyl]isoquinoline [ACD/IUPAC Name]
Isoquinoline, 8-nitro-5-[(3S)-3-(trifluoromethyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 78.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 175.51
ACD/KOC (pH 5.5): 1374.96
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.79
ACD/KOC (pH 7.4): 1486.83
Polar Surface Area: 62 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 234.0±3.0 cm3

Click to predict properties on the Chemicalize site


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