ChemSpider 2D Image | N-[(1R,2S)-2-Phenylcyclopropyl]-4-(3,3,3-trifluoropropyl)-2-pyrimidinamine | C16H16F3N3

N-[(1R,2S)-2-Phenylcyclopropyl]-4-(3,3,3-trifluoropropyl)-2-pyrimidinamine

  • Molecular FormulaC16H16F3N3
  • Average mass307.314 Da
  • Monoisotopic mass307.129639 Da
  • ChemSpider ID29565802

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrimidinamine, N-[(1R,2S)-2-phenylcyclopropyl]-4-(3,3,3-trifluoropropyl)- [ACD/Index Name]
N-[(1R,2S)-2-Phenylcyclopropyl]-4-(3,3,3-trifluoropropyl)-2-pyrimidinamine [ACD/IUPAC Name]
N-[(1R,2S)-2-Phénylcyclopropyl]-4-(3,3,3-trifluoropropyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-[(1R,2S)-2-Phenylcyclopropyl]-4-(3,3,3-trifluorpropyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[(1R*,2S*)-2-phenylcyclopropyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 414.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.3±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 78.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 266.34
ACD/KOC (pH 5.5): 1875.76
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.23
ACD/KOC (pH 7.4): 1945.42
Polar Surface Area: 38 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 234.5±3.0 cm3

Click to predict properties on the Chemicalize site


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