17-Difluoromethylene-18-methyl-estra-1,3,5(10)-trien-3-ol
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Basic information
- Standard SMILES
CC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=C(F)F- InChIKey
IODAWLSYSGQMSN-WWNBULGVSA-N- Molecular formula
- C20H24F2O
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 17-Difluoromethylene-18-methyl-estra-1,3,5(10)-trien-3-ol
- IUPAC
- (8S,9S,13S,14S)-17-(difluoromethylidene)-13-ethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
17-difluoromethylene-18-methyl-estra-1,3,5(10)-trien-3-olSCHEMBL782977217-difluoromethylene-18-methyl-estra -1,3,5(10)-trien-3-ol
Database identifiers
- PubChem CID
- 70200768
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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