Basic information
- Standard SMILES
COC(C)CCOS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
VHJKXNAIXIASON-UHFFFAOYSA-N- Molecular formula
- C11H11F5O4S
- Average molar mass
- 334.26 g/mol
Names & identifiers
- Preferred name
- 3-Methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate
- IUPAC
- 3-methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate
Names & synonyms
SCHEMBL15152532VHJKXNAIXIASON-UHFFFAOYSA-N3-Methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate
Database identifiers
- PubChem CID
- 86761985
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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