Basic information
- Standard SMILES
Cc1cccc(C)c1Oc1c(F)c(F)c(C#N)c(F)c1C#N- InChIKey
UZYCBDRMUYRCQS-UHFFFAOYSA-N- Molecular formula
- C16H9F3N2O
- Average molar mass
- 302.25 g/mol
Names & identifiers
- Preferred name
- 2,4,5-Trifluoro-6-(2,6-xylyloxy)isophthalonitrile
- IUPAC
- 4-(2,6-dimethylphenoxy)-2,5,6-trifluorobenzene-1,3-dicarbonitrile
Names & synonyms
SCHEMBL10826520UZYCBDRMUYRCQS-UHFFFAOYSA-N2,4,5-trifluoro-6-(2,6-xylyloxy)isophthalonitrile
Database identifiers
- PubChem CID
- 13656188
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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