Basic information
- Standard SMILES
CC(Oc1cccc(F)c1C#N)c1c(F)cccc1F- InChIKey
RTPUTUOFVZBYNA-UHFFFAOYSA-N- Molecular formula
- C15H10F3NO
- Average molar mass
- 277.24 g/mol
Names & identifiers
- Preferred name
- 2-[1-(2,6-Difluorophenyl)-ethoxy]-6-fluorobenzonitrile
- IUPAC
- 2-[1-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
Names & synonyms
SCHEMBL1155196RTPUTUOFVZBYNA-UHFFFAOYSA-N2-[1-(2,6-difluorophenyl)-ethoxy]-6-fluorobenzonitrile
Database identifiers
- PubChem CID
- 66924342
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
3 records
Compound notes
Loading…