Basic information
- Standard SMILES
CC(C#N)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)F- InChIKey
VWEWAKUULKCNCS-UHFFFAOYSA-N- Molecular formula
- C12H11F12NO2S
- Average molar mass
- 461.27 g/mol
- Monoisotopic mass
- 461.0318877
Names & identifiers
- Preferred name
- 5,5,6,6,6-Pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)-2-methylhexanenitrile
- IUPAC
- 5,5,6,6,6-pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)-2-methylhexanenitrile
Names & synonyms
SCHEMBL2433014VWEWAKUULKCNCS-UHFFFAOYSA-N5,5,6,6,6-pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)-2-methylhexanenitrile
Database identifiers
- PubChem CID
- 57788355
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 710
Related reactions
1 records
Compound notes
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