ChemSpider 2D Image | (2S)-1-[3-(Trifluoromethyl)phenyl]-2-butanamine | C11H14F3N

(2S)-1-[3-(Trifluoromethyl)phenyl]-2-butanamine

  • Molecular FormulaC11H14F3N
  • Average mass217.231 Da
  • Monoisotopic mass217.107834 Da
  • ChemSpider ID50687350

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[3-(Trifluormethyl)phenyl]-2-butanamin [German] [ACD/IUPAC Name]
(2S)-1-[3-(Trifluoromethyl)phenyl]-2-butanamine [ACD/IUPAC Name]
(2S)-1-[3-(Trifluorométhyl)phényl]-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-3-(trifluoromethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 235.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 99.3±10.6 °C
Index of Refraction: 1.467
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.74
Polar Surface Area: 26 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 192.8±3.0 cm3

Click to predict properties on the Chemicalize site


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