Basic information
- Standard SMILES
CCCCc1ccc(C(F)=C(F)c2ccc(C#N)cc2)cc1- InChIKey
WDBFXJIZQKQOFB-UHFFFAOYSA-N- Molecular formula
- C19H17F2N
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13290587
Names & identifiers
- Preferred name
- 4PCPdFV
- IUPAC
- 4-[2-(4-butylphenyl)-1,2-difluoroethenyl]benzonitrile
Names & synonyms
4PCPdFVDTXSID1013819034-(2-(4-butylphenyl)-1,2-difluorovinyl)benzonitrile4-[2-(4-butylphenyl)-1,2-difluoroethenyl]benzonitrile
Database identifiers
- PubChem CID
- 175686083
- DTXSID
DTXSID101381903
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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