2-Fluoroestradiol
Basic information
- CAS
16205-32-6- Standard SMILES
C[C@]12CC[C@@H]3c4cc(F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
HDPXSAXRLVDBIR-XSSYPUMDSA-N- Molecular formula
- C18H23FO2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.16820813
Overview
in contrast to 4-fluoroestradiol above cpd is not a carcinogen
Names & identifiers
- Preferred name
- 2-Fluoroestradiol
- IUPAC
- (8R,9S,13S,14S,17S)-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
2-Fluoroestradiol16205-32-6RefChem:87160CHEMBL1627334NSC 97849SCHEMBL3972093BDBM501357551, 3, 5(10)-ESTRATRIEN-2-FLUORO-3, 17beta-DIOLEstra-1,3,5(10)-triene-3,17-diol, 2-fluoro-, (17beta)-
Database identifiers
- CAS
16205-32-6- PubChem CID
- 66842
- ChEMBL
CHEMBL1627334- Nikkaji
- J464.371B
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
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