ChemSpider 2D Image | N-(1-Cyanocyclohexyl)-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]acetamide | C14H22FN3O2

N-(1-Cyanocyclohexyl)-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]acetamide

  • Molecular FormulaC14H22FN3O2
  • Average mass283.342 Da
  • Monoisotopic mass283.169617 Da
  • ChemSpider ID65283822

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Pyrrolidineacetamide, N-(1-cyanocyclohexyl)-4-fluoro-2-(hydroxymethyl)-, (2S,4S)- [ACD/Index Name]
N-(1-Cyancyclohexyl)-2-[(2S,4S)-4-fluor-2-(hydroxymethyl)-1-pyrrolidinyl]acetamid [German] [ACD/IUPAC Name]
N-(1-Cyanocyclohexyl)-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)-1-pyrrolidinyl]acetamide [ACD/IUPAC Name]
N-(1-Cyanocyclohexyl)-2-[(2S,4S)-4-fluoro-2-(hydroxyméthyl)-1-pyrrolidinyl]acétamide [French] [ACD/IUPAC Name]
2223263-45-2 [RN]
N-(1-cyanocyclohexyl)-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 267.9±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.75
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 37.07
Polar Surface Area: 76 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 231.2±5.0 cm3

Click to predict properties on the Chemicalize site


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