ChemSpider 2D Image | (2S)-1-Methyl-2-[(pentafluorophenoxy)methyl]pyrrolidine | C12H12F5NO

(2S)-1-Methyl-2-[(pentafluorophenoxy)methyl]pyrrolidine

  • Molecular FormulaC12H12F5NO
  • Average mass281.222 Da
  • Monoisotopic mass281.083893 Da
  • ChemSpider ID23164688

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Methyl-2-[(pentafluorophenoxy)methyl]pyrrolidine [ACD/IUPAC Name]
(2S)-1-Méthyl-2-[(pentafluorophénoxy)méthyl]pyrrolidine [French] [ACD/IUPAC Name]
(2S)-1-Methyl-2-[(pentafluorphenoxy)methyl]pyrrolidin [German] [ACD/IUPAC Name]
Pyrrolidine, 1-methyl-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]-, (2S)- [ACD/Index Name]
(S)-1-Methyl-2-pentafluorophenyloxymethyl-pyrrolidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 269.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 116.7±25.9 °C
Index of Refraction: 1.460
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 12 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 210.3±3.0 cm3

Click to predict properties on the Chemicalize site


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