Basic information
- Standard SMILES
N#Cc1cccc(OCC(F)(F)C(F)(F)F)c1C#N- InChIKey
OJTILHXVRDKKIS-UHFFFAOYSA-N- Molecular formula
- C11H5F5N2O
- Average molar mass
- 276.16 g/mol
Names & identifiers
- Preferred name
- 3-(2,2,3,3,3-Pentafluoropropoxy)phthalonitrile
- IUPAC
- 3-(2,2,3,3,3-pentafluoropropoxy)benzene-1,2-dicarbonitrile
Names & synonyms
3-(2,2,3,3,3-pentafluoropropoxy)phthalonitrileSCHEMBL7887864
Database identifiers
- PubChem CID
- 21263641
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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