11-Fluoro-19-nor-dihydro-testosterone
Basic information
- CAS
111984-13-5- Standard SMILES
C[C@]12C[C@H](F)[C@H]3[C@@H](CCC4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O- InChIKey
YEDABXPMRZKPMA-MAGKPVJASA-N- Molecular formula
- C18H27FO2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.19950826
Overview
structure given in first source
Names & identifiers
- Preferred name
- 11-Fluoro-19-nor-dihydro-testosterone
- IUPAC
- (8S,9R,10S,11S,13S,14S,17S)-11-fluoro-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 11-fluoro-19-nordihydrotestosterone
- Molecular formula
- C18H27FO2
- Molecular weight
- 294.4
Names & synonyms
111984-13-511beta-F-19-Nor-dht11-Fluoro-19-nordihydrotestosterone11-fluoro-19-nor-dihydro-testosteroneRefChem:77855(11beta,17beta)-11-Fluoro-17-hydroxyestran-3-one11beta-Fluoro-19-nor-5alpha-dihydrotestosteroneDTXSID6092063911-Fluoro-17-hydroxyestran-3-one11beta-Fluoro-17beta-hydroxyestran-3-oneEstran-3-one, 11-fluoro-17-hydroxy-, (11beta,17beta)-Estran-3-one, 11-fluoro-17-hydroxy-, (11β,17β)- (9CI)
Database identifiers
- CAS
111984-13-5- PubChem CID
- 130697
- DTXSID
DTXSID60920639
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 420.2 · 420.2±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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