Basic information
- Standard SMILES
N#Cc1cc(F)cc(Oc2ccc(C=O)cc2F)c1- InChIKey
PTLKVYRIEOAGTC-UHFFFAOYSA-N- Molecular formula
- C14H7F2NO2
- Average molar mass
- 259.21 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-5-(2-fluoro-4-formyl-phenoxy)-benzonitrile
- IUPAC
- 3-fluoro-5-(2-fluoro-4-formylphenoxy)benzonitrile
Names & synonyms
SCHEMBL14656419PTLKVYRIEOAGTC-UHFFFAOYSA-N3-Fluoro-5-(2-fluoro-4-formyl-phenoxy)-benzonitrile
Database identifiers
- PubChem CID
- 86676385
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
1 records
Compound notes
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