Basic information
- Standard SMILES
CCC12CCC(c3ccc(-c4cc(F)c(C#N)c(F)c4)cc3)(OC1)OC2- InChIKey
RWSYSDDEDCYJOF-UHFFFAOYSA-N- Molecular formula
- C21H19F2NO2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.13838517
Names & identifiers
- Preferred name
- 2DxCdFB
- IUPAC
- 4-[4-(4-ethyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)phenyl]-2,6-difluorobenzonitrile
Names & synonyms
2DxCdFBDTXSID0013795274'-(4-ethyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)-3,5-difluoro[biphenyl]-4-carbonitrile4'-(4-ethyl-2,6-dioxabicyclo[2.2.2]octan-1-yl)-3,5-difluoro-[1,1'-biphenyl]-4-carbonitrile
Database identifiers
- PubChem CID
- 175685845
- DTXSID
DTXSID001379527
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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