Basic information
- CAS
103419-09-6- Standard SMILES
C[C@]12CC[C@@H]3c4c(F)cc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
VAYVDUJKHGYLSR-PEEYHIECSA-N- Molecular formula
- C18H23FO2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.16820813
Names & identifiers
- Preferred name
- 1-Fluoroestradiol
- IUPAC
- (8S,9S,13S,14S,17S)-1-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 1-fluoroestradiol
- Molecular weight
- 0
Names & synonyms
1-Fluoroestradiol103419-09-6Estra-1,3,5(10)-triene-3,17-diol, 1-fluoro-, (17beta)-RefChem:75819(8S,9S,13S,14S,17S)-1-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diolSCHEMBL10792759DTXSID709083671-Fluoroestra-1(10),2,4-triene-3,17-diol1-Fluoroestra-1(10),2,4-triene-3,17beta-diol1-fluoroestra-1,3,5(10)-trien-3,17beta-diol
Database identifiers
- CAS
103419-09-6- PubChem CID
- 67382
- DTXSID
DTXSID70908367
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…