Basic information
- Standard SMILES
N#CC(CC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
FOWHWESJARWAPH-UHFFFAOYSA-N- Molecular formula
- C9H7F10NO2S
- Average molar mass
- 383.21 g/mol
Names & identifiers
- Preferred name
- 4,4,5,5,6,6,6-Heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
- IUPAC
- 4,4,5,5,6,6,6-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Names & synonyms
SCHEMBL2427854FOWHWESJARWAPH-UHFFFAOYSA-N4,4,5,5,6,6,6-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Database identifiers
- PubChem CID
- 57788427
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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