Chemical Properties of Heptafluorobutyryl-codeine (CAS 66091-21-2)

Heptafluorobutyryl-codeine

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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
CAS
66091-21-2
Other Names
  • Codeine mono-HFB
  • Codeine heptafluorobutyrate
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Physical Properties

Property Value Unit Source
log10WS -5.43 Crippen Calculated Property
logPoct/wat 3.885 Crippen Calculated Property
McVol 290.890 ml/mol McGowan Calculated Property

Similar Compounds

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Sources

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