ChemSpider 2D Image | (1S)-1-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-isoquinolinamine | C10H11F3N2

(1S)-1-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-isoquinolinamine

  • Molecular FormulaC10H11F3N2
  • Average mass216.203 Da
  • Monoisotopic mass216.087433 Da
  • ChemSpider ID110572785

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(Trifluormethyl)-1,2,3,4-tetrahydro-5-isochinolinamin [German] [ACD/IUPAC Name]
(1S)-1-(Trifluorométhyl)-1,2,3,4-tétrahydro-5-isoquinoléinamine [French] [ACD/IUPAC Name]
(1S)-1-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-isoquinolinamine [ACD/IUPAC Name]
5-Isoquinolinamine, 1,2,3,4-tetrahydro-1-(trifluoromethyl)-, (1S)- [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: 288.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 128.2±27.3 °C
Index of Refraction: 1.518
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.25
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.27
ACD/KOC (pH 7.4): 103.19
Polar Surface Area: 38 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

Click to predict properties on the Chemicalize site


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