2PCPdFV
Basic information
- Standard SMILES
CCc1ccc(C(F)=C(F)c2ccc(C#N)cc2)cc1- InChIKey
OROGUJUUCTYBKL-UHFFFAOYSA-N- Molecular formula
- C17H13F2N
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10160574
Names & identifiers
- Preferred name
- 2PCPdFV
- IUPAC
- 4-[2-(4-ethylphenyl)-1,2-difluoroethenyl]benzonitrile
Names & synonyms
2PCPdFVDTXSID0013819004-(2-(4-ethylphenyl)-1,2-difluorovinyl)benzonitrile4-[2-(4-ethylphenyl)-1,2-difluoroethenyl]benzonitrile
Database identifiers
- PubChem CID
- 175685614
- DTXSID
DTXSID001381900
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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