ChemSpider 2D Image | 3-(Difluoromethoxy)-N-[2-hydroxy-2-(1-methyl-1H-pyrazol-4-yl)propyl]-2-thiophenecarboxamide | C13H15F2N3O3S

3-(Difluoromethoxy)-N-[2-hydroxy-2-(1-methyl-1H-pyrazol-4-yl)propyl]-2-thiophenecarboxamide

  • Molecular FormulaC13H15F2N3O3S
  • Average mass331.338 Da
  • Monoisotopic mass331.080231 Da
  • ChemSpider ID30455190

More details:

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

2-Thiophenecarboxamide, 3-(difluoromethoxy)-N-[2-hydroxy-2-(1-methyl-1H-pyrazol-4-yl)propyl]- [ACD/Index Name]
3-(Difluormethoxy)-N-[2-hydroxy-2-(1-methyl-1H-pyrazol-4-yl)propyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
3-(Difluoromethoxy)-N-[2-hydroxy-2-(1-methyl-1H-pyrazol-4-yl)propyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
3-(Difluorométhoxy)-N-[2-hydroxy-2-(1-méthyl-1H-pyrazol-4-yl)propyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
3-(DIFLUOROMETHOXY)-N-[2-HYDROXY-2-(1-METHYL-1H-PYRAZOL-4-YL)PROPYL]THIOPHENE-2-CARBOXAMIDE
3-(DIFLUOROMETHOXY)-N-[2-HYDROXY-2-(1-METHYLPYRAZOL-4-YL)PROPYL]THIOPHENE-2-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 68.02
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.55
ACD/KOC (pH 7.4): 68.07
Polar Surface Area: 105 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 230.1±7.0 cm3

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