ChemSpider 2D Image | Difluoro(4-methyl-1,2,4-triazolidin-3-yl)acetic acid | C5H9F2N3O2

Difluoro(4-methyl-1,2,4-triazolidin-3-yl)acetic acid

  • Molecular FormulaC5H9F2N3O2
  • Average mass181.141 Da
  • Monoisotopic mass181.066284 Da
  • ChemSpider ID109699786

More details:

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

1,2,4-Triazolidine-3-acetic acid, α,α-difluoro-4-methyl- [ACD/Index Name]
Acide difluoro(4-méthyl-1,2,4-triazolidin-3-yl)acétique [French] [ACD/IUPAC Name]
Difluor(4-methyl-1,2,4-triazolidin-3-yl)essigsäure [German] [ACD/IUPAC Name]
Difluoro(4-methyl-1,2,4-triazolidin-3-yl)acetic acid [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: 272.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.2±6.0 kJ/mol
Flash Point: 118.6±27.3 °C
Index of Refraction: 1.449
Molar Refractivity: 35.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 130.6±3.0 cm3

Click to predict properties on the Chemicalize site


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