ChemSpider 2D Image | (1S)-1-(2,6-Difluorophenyl)-N-methylethanamine | C9H11F2N

(1S)-1-(2,6-Difluorophenyl)-N-methylethanamine

  • Molecular FormulaC9H11F2N
  • Average mass171.187 Da
  • Monoisotopic mass171.085953 Da
  • ChemSpider ID110457060

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(2,6-Difluorophenyl)-N-methylethanamine [ACD/IUPAC Name]
(1S)-1-(2,6-Difluorophényl)-N-méthyléthanamine [French] [ACD/IUPAC Name]
(1S)-1-(2,6-Difluorphenyl)-N-methylethanamin [German] [ACD/IUPAC Name]
Benzenemethanamine, 2,6-difluoro-N,α-dimethyl-, (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: 168.3±25.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 55.6±23.2 °C
Index of Refraction: 1.474
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 29.03
Polar Surface Area: 12 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 29.3±3.0 dyne/cm
Molar Volume: 156.7±3.0 cm3

Click to predict properties on the Chemicalize site


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