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

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

Property Value Unit Source
ω 0.7298 Relay (1.0) Calculated Property
ΔfG° -1473.51 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1909.80 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 117.98 kJ/mol Relay (1.0) Calculated Property
IE 8.24 eV Relay (1.0) Calculated Property
log10WS -4.44 Relay (1.0) Calculated Property
logPoct/wat 3.885 Crippen Calculated Property
McVol 290.890 ml/mol McGowan Calculated Property
Pc 663.36 kPa Relay (1.0-beta) Calculated Property
Tboil 659.34 K Relay (1.0) Calculated Property
Tc 900.15 K Relay (1.0) Calculated Property
Tfus 379.08 K Relay (1.0) Calculated Property
Vc 1.128 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Heptafluorobutyryl-codeine.

Sources

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