Basic information
- Standard SMILES
CCCC12CCC(OCc3ccc(OCC)c(F)c3F)(CC1)C(F)C2(F)F- InChIKey
ZNIJKOMUSMYORZ-UHFFFAOYSA-N- Molecular formula
- C20H25F5O2
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- 1-(4'-Ethoxy-2',3'-Difluorophenyl)methyloxy-2,3,3-Trifluoro-4-n-Propyl bicyclo[2.2.2]octane
- IUPAC
- 4-[(4-ethoxy-2,3-difluorophenyl)methoxy]-2,2,3-trifluoro-1-propylbicyclo[2.2.2]octane
Names & synonyms
1-(4'-Ethoxy-2',3'-Difluorophenyl)methyloxy-2,3,3-Trifluoro-4-n-Propyl bicyclo[2.2.2]octaneSCHEMBL707401
Database identifiers
- PubChem CID
- 59480985
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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