Basic information
- Standard SMILES
COC(=O)C(F)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)F- InChIKey
ASYLJEXKHKFAPO-UHFFFAOYSA-N- Molecular formula
- C12H11F13O4S
- Average molar mass
- 498.26 g/mol
- Monoisotopic mass
- 498.0170461
Names & identifiers
- Preferred name
- Methyl 2,5,5,6,6,6-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanoate
- IUPAC
- methyl 2,5,5,6,6,6-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanoate
Names & synonyms
SCHEMBL2429049ASYLJEXKHKFAPO-UHFFFAOYSA-Nmethyl 2,5,5,6,6,6-hexafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanoate
Database identifiers
- PubChem CID
- 57788390
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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