ChemSpider 2D Image | N-({5-[1-(4,4,4-Trifluorobutyl)-1H-pyrazol-3-yl]-2-furyl}methyl)-2,3-dihydro-3-thiophenamine 1,1-dioxide | C16H18F3N3O3S

N-({5-[1-(4,4,4-Trifluorobutyl)-1H-pyrazol-3-yl]-2-furyl}methyl)-2,3-dihydro-3-thiophenamine 1,1-dioxide

  • Molecular FormulaC16H18F3N3O3S
  • Average mass389.393 Da
  • Monoisotopic mass389.102081 Da
  • ChemSpider ID22411571

More details:

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

1,1-Dioxyde de N-({5-[1-(4,4,4-trifluorobutyl)-1H-pyrazol-3-yl]-2-furyl}méthyl)-2,3-dihydro-3-thiophénamine [French] [ACD/IUPAC Name]
2-Furanmethanamine, N-(2,3-dihydro-1,1-dioxido-3-thienyl)-5-[1-(4,4,4-trifluorobutyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
N-({5-[1-(4,4,4-Trifluorbutyl)-1H-pyrazol-3-yl]-2-furyl}methyl)-2,3-dihydro-3-thiophenamin-1,1-dioxid [German] [ACD/IUPAC Name]
N-({5-[1-(4,4,4-Trifluorobutyl)-1H-pyrazol-3-yl]-2-furyl}methyl)-2,3-dihydro-3-thiophenamine 1,1-dioxide [ACD/IUPAC Name]
(1,1-dioxido-2,3-dihydro-3-thienyl)({5-[1-(4,4,4-trifluorobutyl)-1H-pyrazol-3-yl]-2-furyl}methyl)amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 279.9±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.85
ACD/KOC (pH 5.5): 122.92
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.90
ACD/KOC (pH 7.4): 124.01
Polar Surface Area: 86 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 265.7±7.0 cm3

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