Basic information
- Standard SMILES
N#CC(CCCC(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
OJBRKUTUEHFJFV-UHFFFAOYSA-N- Molecular formula
- C9H11F6NO2S
- Average molar mass
- 311.25 g/mol
Names & identifiers
- Preferred name
- 6,6,6-Trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
- IUPAC
- 6,6,6-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Names & synonyms
SCHEMBL2430905OJBRKUTUEHFJFV-UHFFFAOYSA-N6,6,6-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Database identifiers
- PubChem CID
- 57788432
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
2 records
Compound notes
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