ChemSpider 2D Image | N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide | C18H12F3NO4S

N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC18H12F3NO4S
  • Average mass395.352 Da
  • Monoisotopic mass395.043915 Da
  • ChemSpider ID31060497

More details:

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

Benzo[b]thiophene-2-carboxamide, N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluoro-3-(methoxymethyl)- [ACD/Index Name]
N-(2,2-Difluor-1,3-benzodioxol-5-yl)-4-fluor-3-(methoxymethyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-fluoro-3-(méthoxyméthyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 411.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.6±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 958.63
ACD/KOC (pH 5.5): 4740.91
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 957.07
ACD/KOC (pH 7.4): 4733.21
Polar Surface Area: 85 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 257.2±5.0 cm3

Click to predict properties on the Chemicalize site


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