Basic information
- CAS
2133-49-5- Standard SMILES
CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
OFMUOMXAKXABEF-LLKMXCJQSA-N- Molecular formula
- C22H31FO2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.23080839
Names & identifiers
- Preferred name
- Pregn-4-ene-3,20-dione, 6-beta-fluoro-16-alpha-methyl-
- IUPAC
- (6R,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-6-fluoro-10,13,16-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
Pregn-4-ene-3,20-dione, 6-beta-fluoro-16-alpha-methyl-6-beta-Fluoro-16-alpha-methylprogesterone6-beta-Fluoro-16-alpha-methylpregn-4-ene-3,20-dione2133-49-5
Database identifiers
- CAS
2133-49-5- PubChem CID
- 200484
- Nikkaji
- J66.988A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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