Basic information
- Standard SMILES
CCc1ccc(C(F)=C(F)c2ccc(C#N)c(F)c2)cc1- InChIKey
QQJDWORWGGOOID-UHFFFAOYSA-N- Molecular formula
- C17H12F3N
- Average molar mass
- 287.28 g/mol
- Monoisotopic mass
- 287.09218387
Names & identifiers
- Preferred name
- 2PFCPdFV
- IUPAC
- 4-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluorobenzonitrile
Names & synonyms
2PFCPdFVDTXSID9013819194-(2-(4-ethylphenyl)-1,2-difluorovinyl)-2-fluorobenzonitrile4-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 175685763
- DTXSID
DTXSID901381919
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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