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Search term: UYXOJZURHVPGSE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(2S)-2-Pyrrolidinyl]-4-(trifluoromethyl)pyrimidine | C9H10F3N3

2-[(2S)-2-Pyrrolidinyl]-4-(trifluoromethyl)pyrimidine

  • Molecular FormulaC9H10F3N3
  • Average mass217.191 Da
  • Monoisotopic mass217.082687 Da
  • ChemSpider ID96786727

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2S)-2-Pyrrolidinyl]-4-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
2-[(2S)-2-Pyrrolidinyl]-4-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
2-[(2S)-2-Pyrrolidinyl]-4-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[(2S)-2-pyrrolidinyl]-4-(trifluoromethyl)- [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: 264.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.7±27.3 °C
Index of Refraction: 1.473
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.04
Polar Surface Area: 38 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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