Basic information
- Standard SMILES
CCC12CCC(c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)cc3)(OC1)OC2- InChIKey
YDUQQNJHLASGQG-UHFFFAOYSA-N- Molecular formula
- C21H19F5O3
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.12543527
Names & identifiers
- Preferred name
- 2DxtFMeOdFB
- IUPAC
- 1-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-4-ethyl-2,6-dioxabicyclo[2.2.2]octane
Names & synonyms
2DxtFMeOdFBDTXSID9013795241-(3',5'-difluoro-4'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl)-4-ethyl-2,6-dioxabicyclo[2.2.2]octane1-[3',5'-difluoro-4'-(trifluoromethoxy)[biphenyl]-4-yl]-4-ethyl-2,6-dioxabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 175686252
- DTXSID
DTXSID901379524
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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