17alpha-Ethinyl-11beta-fluoro-17beta-hydroxy-7alpha-methylestr-4-en-3-one
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Basic information
- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@H]3[C@H]([C@@H](F)C[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C- InChIKey
BAXKJVUQPKSPPJ-MVINOYJNSA-N- Molecular formula
- C21H27FO2
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 17alpha-Ethinyl-11beta-fluoro-17beta-hydroxy-7alpha-methylestr-4-en-3-one
- IUPAC
- (7R,8S,9S,10R,11S,13S,14S,17R)-17-ethynyl-11-fluoro-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL5150213BAXKJVUQPKSPPJ-MVINOYJNSA-N17alpha-ethinyl-11beta-fluoro-17beta-hydroxy-7alpha-methylestr-4-en-3-one
Database identifiers
- PubChem CID
- 87787253
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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