ChemSpider 2D Image | (3R)-N-Methyl-3-(~2~H_5_)phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine | C17H13D5F3NO

(3R)-N-Methyl-3-(2H5)phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine

  • Molecular FormulaC17H13D5F3NO
  • Average mass314.357 Da
  • Monoisotopic mass314.165436 Da
  • ChemSpider ID78361989

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-N-Methyl-3-(2H5)phenyl-3-[4-(trifluormethyl)phenoxy]-1-propanamin [German] [ACD/IUPAC Name]
(3R)-N-Methyl-3-(2H5)phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine [ACD/IUPAC Name]
(3R)-N-Méthyl-3-(2H5)phényl-3-[4-(trifluorométhyl)phénoxy]-1-propanamine [French] [ACD/IUPAC Name]
1217976-97-0 [RN]
Benzene-2,3,4,5,6-d5-propanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, (γR)- [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: 395.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.8±27.9 °C
Index of Refraction: 1.511
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 15.01
Polar Surface Area: 21 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 266.7±3.0 cm3

Click to predict properties on the Chemicalize site


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