Basic information
- Standard SMILES
CC(C#N)(CC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F- InChIKey
CAXNWNHURZLSBU-UHFFFAOYSA-N- Molecular formula
- C10H9F10NO2S
- Average molar mass
- 397.23 g/mol
- Monoisotopic mass
- 397.01943132
Names & identifiers
- Preferred name
- 4,4,5,5,6,6,6-Heptafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
- IUPAC
- 4,4,5,5,6,6,6-heptafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Names & synonyms
SCHEMBL2435581CAXNWNHURZLSBU-UHFFFAOYSA-N4,4,5,5,6,6,6-heptafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
Database identifiers
- PubChem CID
- 57788364
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 606
Related reactions
1 records
Compound notes
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