Basic information
- Standard SMILES
Cc1ccc(Cl)c(Oc2ccc(C#N)cc2F)c1F- InChIKey
IRUXXTXRDHTUBP-UHFFFAOYSA-N- Molecular formula
- C14H8ClF2NO
- Average molar mass
- 279.67 g/mol
Names & identifiers
- Preferred name
- 4-[(6-Chloro-2-fluoro-3-methylphenyl)oxy]-3-fluorobenzonitrile
- IUPAC
- 4-(6-chloro-2-fluoro-3-methylphenoxy)-3-fluorobenzonitrile
Names & synonyms
SCHEMBL3633549IRUXXTXRDHTUBP-UHFFFAOYSA-N4-[(6-chloro-2-fluoro-3-methylphenyl)oxy]-3-fluorobenzonitrile
Database identifiers
- PubChem CID
- 68720989
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
4 records
Compound notes
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