Found 45 results

Search term: MF = 'C_{19}H_{16}F_{6}N_{2}O_{5}'
ChemSpider 2D Image | Methyl 3,3,3-trifluoro-N-(4-methoxybenzoyl)-2-{[4-(trifluoromethoxy)phenyl]amino}-D-alaninate | C19H16F6N2O5

Methyl 3,3,3-trifluoro-N-(4-methoxybenzoyl)-2-{[4-(trifluoromethoxy)phenyl]amino}-D-alaninate

  • Molecular FormulaC19H16F6N2O5
  • Average mass466.331 Da
  • Monoisotopic mass466.096344 Da
  • ChemSpider ID62475439

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,3,3-Trifluoro-N-(4-méthoxybenzoyl)-2-{[4-(trifluorométhoxy)phényl]amino}-D-alaninate de méthyle [French] [ACD/IUPAC Name]
D-Alanine, 3,3,3-trifluoro-N-(4-methoxybenzoyl)-2-[[4-(trifluoromethoxy)phenyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3,3,3-trifluoro-N-(4-methoxybenzoyl)-2-{[4-(trifluoromethoxy)phenyl]amino}-D-alaninate [ACD/IUPAC Name]
Methyl-3,3,3-trifluor-N-(4-methoxybenzoyl)-2-{[4-(trifluormethoxy)phenyl]amino}-D-alaninat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3130.64
ACD/KOC (pH 5.5): 11060.31
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3128.48
ACD/KOC (pH 7.4): 11052.69
Polar Surface Area: 86 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

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