ChemSpider 2D Image | 3-[3-(Difluoromethyl)-1H-pyrazol-1-yl]butanoic acid | C8H10F2N2O2

3-[3-(Difluoromethyl)-1H-pyrazol-1-yl]butanoic acid

  • Molecular FormulaC8H10F2N2O2
  • Average mass204.174 Da
  • Monoisotopic mass204.071030 Da
  • ChemSpider ID53607873

More details:

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

1H-Pyrazole-1-propanoic acid, 3-(difluoromethyl)-β-methyl- [ACD/Index Name]
3-[3-(Difluormethyl)-1H-pyrazol-1-yl]butansäure [German] [ACD/IUPAC Name]
3-[3-(Difluoromethyl)-1H-pyrazol-1-yl]butanoic acid [ACD/IUPAC Name]
Acide 3-[3-(difluorométhyl)-1H-pyrazol-1-yl]butanoïque [French] [ACD/IUPAC Name]
1856070-60-4 [RN]
3-[3-(DIFLUOROMETHYL)PYRAZOL-1-YL]BUTANOIC ACID
MFCD29911712

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

Density: 1.4±0.1 g/cm3
Boiling Point: 329.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 152.8±27.9 °C
Index of Refraction: 1.522
Molar Refractivity: 45.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 147.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement