Chemical Properties of HEPTAFLUOROBUTYRYL-CODEINE

InChI

InChI=1S/C22H20F7NO4/c1-30-8-7-19-11-4-6-14(33-18(31)20(23,24)21(25,26)22(27,28)29)17(19)34-16-13(32-2)5-3-10(15(16)19)9-12(11)30/h3-6,11-12,14,17H,7-9H2,1-2H3

InChI Key

AVCAJQCTFAWNTJ-UHFFFAOYSA-N

Formula

C22H20F7NO4

SMILES

COc1ccc2c3c1OC1C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=CC4C(C2)N(C)CCC341

Molecular Weight¹

495.39

Other Names

• Codeine mono-HFB
• Codeine heptafluorobutyrate

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to HEPTAFLUOROBUTYRYL-CODEINE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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