6-Fluoroprogesterone
Basic information
- CAS
158091-62-4- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]([18F])C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
UZROOFLUFHWOJQ-WAUWVLFQSA-N- Molecular formula
- C21H29FO2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.217692
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Fluoroprogesterone
- IUPAC
- (6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-(18F)fluoro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 6-fluoroprogesterone
- Molecular weight
- 0
Names & synonyms
6-Fluoroprogesterone158091-62-4RefChem:9139396alpha-(18F)Fluoroprogesterone6-(Fluoro-18F)pregn-4-ene-3,20-dione (6alpha)-Pregn-4-ene-3,20-dione, 6-(fluoro-18F)-, (6alpha)-DTXSID70935855MOLI000166FF797316-(~18~F)Fluoropregn-4-ene-3,20-dione6alpha-(~18~F)Fluoropregn-4-ene-3,20-dione
Database identifiers
- CAS
158091-62-4- PubChem CID
- 449760
- DTXSID
DTXSID70935855
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 623
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Related reactions
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Compound notes
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