Basic information
- Standard SMILES
CCCCC(C#N)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
CWGDTKYFQARMPS-UHFFFAOYSA-N- Molecular formula
- C13H17F8NO2S
- Average molar mass
- 403.33 g/mol
Names & identifiers
- Preferred name
- 2-Butyl-5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
- IUPAC
- 2-butyl-5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Names & synonyms
SCHEMBL2432889CWGDTKYFQARMPS-UHFFFAOYSA-N2-butyl-5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Database identifiers
- PubChem CID
- 57788420
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Related reactions
1 records
Compound notes
Loading…