ChemSpider 2D Image | 1-[2-Methyl-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinecarboxylic acid | C11H12F3N3O2

1-[2-Methyl-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC11H12F3N3O2
  • Average mass275.227 Da
  • Monoisotopic mass275.088165 Da
  • ChemSpider ID35494012

More details:

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

1-[2-Methyl-6-(trifluormethyl)-4-pyrimidinyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-[2-Methyl-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[2-methyl-6-(trifluoromethyl)-4-pyrimidinyl]- [ACD/Index Name]
Acide 1-[2-méthyl-6-(trifluorométhyl)-4-pyrimidinyl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1-(2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
1-(2-Methyl-6-trifluoromethyl-pyrimidin-4-yl)-pyrrolidine-3-carboxylic acid
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
1707372-78-8 [RN]
MFCD26382600

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 409.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.4±28.7 °C
Index of Refraction: 1.521
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.81
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 192.4±3.0 cm3

Click to predict properties on the Chemicalize site


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