ChemSpider 2D Image | UNII:99L1V4957O | C18H14F4N2O3S

UNII:99L1V4957O

  • Molecular FormulaC18H14F4N2O3S
  • Average mass414.374 Da
  • Monoisotopic mass414.066132 Da
  • ChemSpider ID34988450

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S)-3-{[4-Cyan-3-(trifluormethyl)phenyl]amino}-2-hydroxy-2-methyl-3-oxopropyl](4-fluorphenyl)sulfoniumolat [German] [ACD/IUPAC Name]
[(2S)-3-{[4-Cyano-3-(trifluoromethyl)phenyl]amino}-2-hydroxy-2-methyl-3-oxopropyl](4-fluorophenyl)sulfoniumolate [ACD/IUPAC Name]
[(2S)-3-{[4-Cyano-3-(trifluorométhyl)phényl]amino}-2-hydroxy-2-méthyl-3-oxopropyl](4-fluorophényl)sulfoniumolate [French] [ACD/IUPAC Name]
N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfinyl)-2?-hydroxy-2-methylpropanamide
Sulfonium, [(2S)-3-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-2-hydroxy-2-methyl-3-oxopropyl](4-fluorophenyl)hydroxy-, inner salt [ACD/Index Name]
UNII:99L1V4957O
945419-64-7 [RN]
N-(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)-3-((4-FLUOROPHENYL)SULFINYL)-2β-HYDROXY-2-METHYLPROPANAMIDE
UNII-99L1V4957O

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 96 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

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