ChemSpider 2D Image | (2S)-1,1-Difluoro-1-phenyl-2-propanamine | C9H11F2N

(2S)-1,1-Difluoro-1-phenyl-2-propanamine

  • Molecular FormulaC9H11F2N
  • Average mass171.187 Da
  • Monoisotopic mass171.085953 Da
  • ChemSpider ID65746104

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1-Difluor-1-phenyl-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1,1-Difluoro-1-phenyl-2-propanamine [ACD/IUPAC Name]
(2S)-1,1-Difluoro-1-phényl-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, β,β-difluoro-α-methyl-, (αS)- [ACD/Index Name]
(2S)-1,1-difluoro-1-phenylpropan-2-amine
225091-72-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 238.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 119.1±13.0 °C
Index of Refraction: 1.479
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.24
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 16.99
ACD/KOC (pH 7.4): 236.64
Polar Surface Area: 26 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 154.6±3.0 cm3

Click to predict properties on the Chemicalize site


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