ChemSpider 2D Image | (5-Acetyl-1-methyl-1H-pyrrol-2-yl)(difluoro)acetic acid | C9H9F2NO3

(5-Acetyl-1-methyl-1H-pyrrol-2-yl)(difluoro)acetic acid

  • Molecular FormulaC9H9F2NO3
  • Average mass217.169 Da
  • Monoisotopic mass217.055054 Da
  • ChemSpider ID30387595

More details:

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

(5-Acetyl-1-methyl-1H-pyrrol-2-yl)(difluor)essigsäure [German] [ACD/IUPAC Name]
(5-Acetyl-1-methyl-1H-pyrrol-2-yl)(difluoro)acetic acid [ACD/IUPAC Name]
1423031-93-9 [RN]
1H-Pyrrole-2-acetic acid, 5-acetyl-α,α-difluoro-1-methyl- [ACD/Index Name]
Acide (5-acétyl-1-méthyl-1H-pyrrol-2-yl)(difluoro)acétique [French] [ACD/IUPAC Name]
2-(5-acetyl-1-methyl-1H-pyrrol-2-yl)-2,2-difluoroacetic acid
MFCD22578531

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

Density: 1.3±0.1 g/cm3
Boiling Point: 330.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 153.4±26.5 °C
Index of Refraction: 1.506
Molar Refractivity: 47.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 37.4±7.0 dyne/cm
Molar Volume: 161.1±7.0 cm3

Click to predict properties on the Chemicalize site


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