Found 42 results

Search term: MF = 'C_{9}H_{12}FNO_{4}'
ChemSpider 2D Image | 2-(2,5-Dihydroxy-1H-pyrrol-1-yl)-3-fluoro-3-methylbutanoic acid | C9H12FNO4

2-(2,5-Dihydroxy-1H-pyrrol-1-yl)-3-fluoro-3-methylbutanoic acid

  • Molecular FormulaC9H12FNO4
  • Average mass217.194 Da
  • Monoisotopic mass217.075043 Da
  • ChemSpider ID91085445

More details:

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

1H-Pyrrole-1-acetic acid, α-(1-fluoro-1-methylethyl)-2,5-dihydroxy- [ACD/Index Name]
2-(2,5-Dihydroxy-1H-pyrrol-1-yl)-3-fluor-3-methylbutansäure [German] [ACD/IUPAC Name]
2-(2,5-Dihydroxy-1H-pyrrol-1-yl)-3-fluoro-3-methylbutanoic acid [ACD/IUPAC Name]
Acide 2-(2,5-dihydroxy-1H-pyrrol-1-yl)-3-fluoro-3-méthylbutanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.4±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 48.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 155.4±7.0 cm3

Click to predict properties on the Chemicalize site


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