ChemSpider 2D Image | 3,3,3-Trifluoro-N-{1-[4-(trifluoromethyl)phenyl]ethyl}-1-propanamine | C12H13F6N

3,3,3-Trifluoro-N-{1-[4-(trifluoromethyl)phenyl]ethyl}-1-propanamine

  • Molecular FormulaC12H13F6N
  • Average mass285.229 Da
  • Monoisotopic mass285.095215 Da
  • ChemSpider ID40323233

More details:

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

3,3,3-Trifluor-N-{1-[4-(trifluormethyl)phenyl]ethyl}-1-propanamin [German] [ACD/IUPAC Name]
3,3,3-Trifluoro-N-{1-[4-(trifluoromethyl)phenyl]ethyl}-1-propanamine [ACD/IUPAC Name]
3,3,3-Trifluoro-N-{1-[4-(trifluorométhyl)phényl]éthyl}-1-propanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)- [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: 236.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 96.6±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: 3.62
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 46.43
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 206.50
ACD/KOC (pH 7.4): 1379.09
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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