ChemSpider 2D Image | 21172990 | C19H14F3N3O3

21172990

  • Molecular FormulaC19H14F3N3O3
  • Average mass389.328 Da
  • Monoisotopic mass389.098724 Da
  • ChemSpider ID24609028
  • defined stereocentres - 1 of 1 defined stereocentres


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

(2R)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2R)-3-(4-Cyanophénoxy)-N-[4-cyano-3-(trifluorométhyl)phényl]-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
(2R)-3-(4-Cyanphenoxy)-N-[4-cyan-3-(trifluormethyl)phenyl]-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
(R)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropionamide
1132656-73-5 [RN]
21172990
MFCD22572923
Propanamide, 3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-, (2R)- [ACD/Index Name]
(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-(4-CYANOPHENOXY)-2-HYDROXY-2-METHYLPROPANAMIDE
(R)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.37
ACD/KOC (pH 5.5): 2551.33
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 403.36
ACD/KOC (pH 7.4): 2551.26
Polar Surface Area: 106 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 274.5±5.0 cm3

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