ChemSpider 2D Image | 1-[(1R,2R)-2-Fluorocyclohexyl]-3-{[4-(1-pyrrolidinyl)tetrahydro-2H-pyran-4-yl]methyl}urea | C17H30FN3O2

1-[(1R,2R)-2-Fluorocyclohexyl]-3-{[4-(1-pyrrolidinyl)tetrahydro-2H-pyran-4-yl]methyl}urea

  • Molecular FormulaC17H30FN3O2
  • Average mass327.437 Da
  • Monoisotopic mass327.232208 Da
  • ChemSpider ID63496090

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1R,2R)-2-Fluorcyclohexyl]-3-{[4-(1-pyrrolidinyl)tetrahydro-2H-pyran-4-yl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-[(1R,2R)-2-Fluorocyclohexyl]-3-{[4-(1-pyrrolidinyl)tetrahydro-2H-pyran-4-yl]methyl}urea [ACD/IUPAC Name]
1-[(1R,2R)-2-Fluorocyclohexyl]-3-{[4-(1-pyrrolidinyl)tétrahydro-2H-pyran-4-yl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[(1R,2R)-2-fluorocyclohexyl]-N'-[[tetrahydro-4-(1-pyrrolidinyl)-2H-pyran-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.3±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 24.23
Polar Surface Area: 54 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 283.8±5.0 cm3

Click to predict properties on the Chemicalize site


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