ChemSpider 2D Image | UNII:9F00FQB8W8 | C18H14F4N2O4S

UNII:9F00FQB8W8

  • Molecular FormulaC18H14F4N2O4S
  • Average mass430.373 Da
  • Monoisotopic mass430.061035 Da
  • ChemSpider ID32698807

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(±)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-((4-fluorophenyl)sulfonyl)-3-hydroxy-2-methylpropanamide
(2R)-N-[4-Cyan-3-(trifluormethyl)phenyl]-2-[(4-fluorphenyl)sulfonyl]-3-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
(2R)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl]-3-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2R)-N-[4-Cyano-3-(trifluorométhyl)phényl]-2-[(4-fluorophényl)sulfonyl]-3-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl]-3-hydroxy-2-methyl-, (2R)- [ACD/Index Name]
UNII:9F00FQB8W8
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-2-((4-FLUOROPHENYL)SULFONYL)-3-HYDROXY-2-METHYLPROPANAMIDE, (±)-
UNII-9F00FQB8W8

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 166.24
ACD/KOC (pH 5.5): 1352.71
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.68
ACD/KOC (pH 7.4): 1348.14
Polar Surface Area: 116 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 282.8±5.0 cm3

Click to predict properties on the Chemicalize site


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