ChemSpider 2D Image | 3-[(3,5-difluorophenyl)carbamoyl]-2,2-dimethylpropanoic acid | C12H13F2NO3

3-[(3,5-difluorophenyl)carbamoyl]-2,2-dimethylpropanoic acid

  • Molecular FormulaC12H13F2NO3
  • Average mass257.233 Da
  • Monoisotopic mass257.086365 Da
  • ChemSpider ID30113041

More details:

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

1485705-79-0 [RN]
3-[(3,5-difluorophenyl)carbamoyl]-2,2-dimethylpropanoic acid
4-[(3,5-Difluorophenyl)amino]-2,2-dimethyl-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(3,5-Difluorphenyl)amino]-2,2-dimethyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(3,5-difluorophényl)amino]-2,2-diméthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(3,5-difluorophenyl)amino]-2,2-dimethyl-4-oxo- [ACD/Index Name]
MFCD20990149

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.0±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 37.48
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site


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