ChemSpider 2D Image | 1-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone | C14H22FN3O2

1-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

  • Molecular FormulaC14H22FN3O2
  • Average mass283.342 Da
  • Monoisotopic mass283.169617 Da
  • ChemSpider ID64982711
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(2S,4S)-4-Fluor-2-(hydroxymethyl)-1-pyrrolidinyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[(2S,4S)-4-Fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone [ACD/IUPAC Name]
1-[(2S,4S)-4-Fluoro-2-(hydroxyméthyl)-1-pyrrolidinyl]-3-(1,3,5-triméthyl-1H-pyrazol-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 245.8±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 73.87
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 74.68
Polar Surface Area: 58 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 222.2±7.0 cm3

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