ChemSpider 2D Image | 3-[5-(Difluoromethyl)-1-tetrazolidinyl]pentanoic acid | C7H14F2N4O2

3-[5-(Difluoromethyl)-1-tetrazolidinyl]pentanoic acid

  • Molecular FormulaC7H14F2N4O2
  • Average mass224.208 Da
  • Monoisotopic mass224.108475 Da
  • ChemSpider ID112153054

More details:

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

1-Tetrazolidinepropanoic acid, 5-(difluoromethyl)-β-ethyl- [ACD/Index Name]
3-[5-(Difluormethyl)-1-tetrazolidinyl]pentansäure [German] [ACD/IUPAC Name]
3-[5-(Difluoromethyl)-1-tetrazolidinyl]pentanoic acid [ACD/IUPAC Name]
Acide 3-[5-(difluorométhyl)-1-tétrazolidinyl]pentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 319.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 146.7±28.7 °C
Index of Refraction: 1.451
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 177.6±3.0 cm3

Click to predict properties on the Chemicalize site


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