Basic information
- Standard SMILES
CC(O)CCOS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F- InChIKey
UIGCEQRZXFTPEU-UHFFFAOYSA-N- Molecular formula
- C10H9F5O4S
- Average molar mass
- 320.23 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate
- IUPAC
- 3-hydroxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate
Names & synonyms
SCHEMBL15152528UIGCEQRZXFTPEU-UHFFFAOYSA-N3-Hydroxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate
Database identifiers
- PubChem CID
- 86761983
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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