ChemSpider 2D Image | 4,4,4-Trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]-2-butanamine | C12H13F6N

4,4,4-Trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]-2-butanamine

  • Molecular FormulaC12H13F6N
  • Average mass285.229 Da
  • Monoisotopic mass285.095215 Da
  • ChemSpider ID39954101

More details:

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

4,4,4-Trifluor-N-methyl-1-[4-(trifluormethyl)phenyl]-2-butanamin [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]-2-butanamine [ACD/IUPAC Name]
4,4,4-Trifluoro-N-méthyl-1-[4-(trifluorométhyl)phényl]-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, N-methyl-α-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)- [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: 244.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 101.8±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: 3.37
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.91
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 24.12
ACD/KOC (pH 7.4): 162.54
Polar Surface Area: 12 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 23.7±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site


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