ChemSpider 2D Image | 4-[2-Chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methyl-2-pyrimidinamine | C15H15ClF3N3O

4-[2-Chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methyl-2-pyrimidinamine

  • Molecular FormulaC15H15ClF3N3O
  • Average mass345.747 Da
  • Monoisotopic mass345.085571 Da
  • ChemSpider ID26326895

More details:

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

2-Pyrimidinamine, 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methyl- [ACD/Index Name]
4-[2-Chlor-6-(4,4,4-trifluorbutoxy)phenyl]-6-methyl-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[2-Chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methyl-2-pyrimidinamine [ACD/IUPAC Name]
4-[2-Chloro-6-(4,4,4-trifluorobutoxy)phényl]-6-méthyl-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[2-Chloro-6-(4,4,4-Trifluorobutoxy)phenyl]-6-Methylpyrimidin-2-Amine
FU5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.3±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 82.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 326.05
ACD/KOC (pH 5.5): 2186.63
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.23
ACD/KOC (pH 7.4): 2201.27
Polar Surface Area: 61 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 261.6±3.0 cm3

Click to predict properties on the Chemicalize site


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