Basic information
- Standard SMILES
CCCCCC12CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)(OC1)OC2- InChIKey
UEBUXCRXSOTZHW-UHFFFAOYSA-N- Molecular formula
- C23H25F3O2
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.18066452
Names & identifiers
- Preferred name
- 5DxtFB
- IUPAC
- 4-pentyl-1-[4-(3,4,5-trifluorophenyl)phenyl]-2,6-dioxabicyclo[2.2.2]octane
Names & synonyms
5DxtFBDTXSID8013795194-pentyl-1-(3',4',5'-trifluoro-[1,1'-biphenyl]-4-yl)-2,6-dioxabicyclo[2.2.2]octane4-pentyl-1-(3',4',5'-trifluoro[biphenyl]-4-yl)-2,6-dioxabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 175685944
- DTXSID
DTXSID801379519
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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