Found 3 results

Search term: FAXXYODRCHXHTQ-ZOWXZIJZSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-[(3S)-3,4-Dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-methyl-1-pyrrolidinyl]-4-(trifluoromethyl)nicotinonitrile | C16H19F3N4O3

6-[(3S)-3,4-Dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-methyl-1-pyrrolidinyl]-4-(trifluoromethyl)nicotinonitrile

  • Molecular FormulaC16H19F3N4O3
  • Average mass372.342 Da
  • Monoisotopic mass372.140930 Da
  • ChemSpider ID128765072

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-Pyridinecarbonitrile, 6-[(3S)-3,4-dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-methyl-1-pyrrolidinyl]-4-(trifluoromethyl)- [ACD/Index Name]
6-[(3S)-3,4-Dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-methyl-1-pyrrolidinyl]-4-(trifluormethyl)nicotinonitril [German] [ACD/IUPAC Name]
6-[(3S)-3,4-Dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-methyl-1-pyrrolidinyl]-4-(trifluoromethyl)nicotinonitrile [ACD/IUPAC Name]
6-[(3S)-3,4-Dihydroxy-1-pyrrolidinyl]-2-[(3S)-3-hydroxy-3-méthyl-1-pyrrolidinyl]-4-(trifluorométhyl)nicotinonitrile [French] [ACD/IUPAC Name]
2135304-43-5 [RN]
KHK-IN-2

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.3±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.65
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.73
Polar Surface Area: 104 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 240.2±5.0 cm3

Click to predict properties on the Chemicalize site


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