ChemSpider 2D Image | (2S)-1-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]-2-propanamine | C12H16F3NO2

(2S)-1-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]-2-propanamine

  • Molecular FormulaC12H16F3NO2
  • Average mass263.256 Da
  • Monoisotopic mass263.113312 Da
  • ChemSpider ID57643126

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[2,5-Dimethoxy-4-(trifluormethyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]-2-propanamine [ACD/IUPAC Name]
(2S)-1-[2,5-Diméthoxy-4-(trifluorométhyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 2,5-dimethoxy-α-methyl-4-(trifluoromethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 144.9±27.9 °C
Index of Refraction: 1.467
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.53
Polar Surface Area: 44 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 224.3±3.0 cm3

Click to predict properties on the Chemicalize site


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