Basic information
- CAS
92817-14-6- Standard SMILES
C#C[C@]1(O)[C@H](F)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C- InChIKey
IFDRGXJMFGLUCN-NADOGSGZSA-N- Molecular formula
- C20H23FO2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16820813
Overview
17-Ethynyl-16-fluoroestradiol is a 3-hydroxy steroid.
Names & identifiers
- Preferred name
- 17-Ethynyl-16-fluoroestradiol
- IUPAC
- (8R,9S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 17-ethynyl-16-fluoroestradiol
- Molecular weight
- 0
Names & synonyms
17-Ethynyl-16-fluoroestradiol17-Ethynyl-fes92817-14-6RefChem:79178(8R,9S,13S,14S,16R,17R)-17-ethynyl-16-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diolCHEMBL1627452DTXSID70918941CHEBI:23082916-Fluoro-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol16alpha-Fluoro-17alpha-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 16-fluoro-, (16alpha,17alpha)-(8R,9S,13S,14S,16R,17R)-17-ethynyl-16-luoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Show more names
Flortaucipir Impurity 48
Database identifiers
- CAS
92817-14-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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