ChemSpider 2D Image | 1-{2,6-Dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea | C15H14Cl2F3N3O3

1-{2,6-Dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

  • Molecular FormulaC15H14Cl2F3N3O3
  • Average mass412.191 Da
  • Monoisotopic mass411.036438 Da
  • ChemSpider ID129109048

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{2,6-Dichlor-4-[(2R)-1,1,1-trifluor-2-hydroxy-2-propanyl]phenyl}-3-[(5-methyl-1,2-oxazol-3-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-{2,6-Dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea [ACD/IUPAC Name]
1-{2,6-Dichloro-4-[(2R)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phényl}-3-[(5-méthyl-1,2-oxazol-3-yl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[2,6-dichloro-4-[(1R)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl]-N'-[(5-methyl-3-isoxazolyl)methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 491.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.2±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.35
ACD/KOC (pH 5.5): 693.34
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.29
ACD/KOC (pH 7.4): 692.80
Polar Surface Area: 87 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 272.3±3.0 cm3

Click to predict properties on the Chemicalize site


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