ChemSpider 2D Image | (2R)-1-[3-(Trifluoromethyl)phenyl]-2-pentanamine | C12H16F3N

(2R)-1-[3-(Trifluoromethyl)phenyl]-2-pentanamine

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID50687604

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[3-(Trifluormethyl)phenyl]-2-pentanamin [German] [ACD/IUPAC Name]
(2R)-1-[3-(Trifluoromethyl)phenyl]-2-pentanamine [ACD/IUPAC Name]
(2R)-1-[3-(Trifluorométhyl)phényl]-2-pentanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-propyl-3-(trifluoromethyl)-, (αR)- [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: 254.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 109.1±10.6 °C
Index of Refraction: 1.468
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.34
Polar Surface Area: 26 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 29.3±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

Click to predict properties on the Chemicalize site


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