ChemSpider 2D Image | N-Ethyl-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]-1-propanamine | C12H13F6N

N-Ethyl-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]-1-propanamine

  • Molecular FormulaC12H13F6N
  • Average mass285.229 Da
  • Monoisotopic mass285.095215 Da
  • ChemSpider ID28599187

More details:

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

Benzenemethanamine, N-ethyl-α-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)- [ACD/Index Name]
N-Ethyl-3,3,3-trifluor-1-[2-(trifluormethyl)phenyl]-1-propanamin [German] [ACD/IUPAC Name]
N-Ethyl-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]-1-propanamine [ACD/IUPAC Name]
N-Éthyl-3,3,3-trifluoro-1-[2-(trifluorométhyl)phényl]-1-propanamine [French] [ACD/IUPAC Name]
MFCD17390458 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 227.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 91.3±27.3 °C
Index of Refraction: 1.422
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 16.44
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 125.75
ACD/KOC (pH 7.4): 795.20
Polar Surface Area: 12 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 23.8±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

Click to predict properties on the Chemicalize site


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