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Predicted properties of the compound entered.

ID QKKPLFRKQDXSAF-UHFFFAOYSA-N
Formula C16H18ClF5N2O4
IUPAC Name 3,5-diethyl 2-(chlorodifluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C16H18ClF5N2O4/c1-5-27-13(25)8-10(23-7(3)4)9(14(26)28-6-2)12(16(20,21)22)24-11(8)15(17,18)19/h7H,5-6H2,1-4H3,(H,23,24)
Standard InChIKey (User Input) InChIKey=QKKPLFRKQDXSAF-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers diethyl 2-(chloro-difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate | diethyl 2-(chloro-difluoro-methyl)-4-(isopropylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate | 2-(chloro-difluoromethyl)-4-(isopropylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid diethyl ester | 2-(chloro-difluoro-methyl)-4-(isopropylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid diethyl ester | diethyl 2-(chloro-difluoro-methyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
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