2-Oxo-3,3-dimethylbutyl-thiacyclopentanium nonafluorobutanesulfonate

HCID 22564587

Basic information

Standard SMILES
CC(C)(C)C(=O)C[S+]1CCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
VEDMEFJCRKXOCA-UHFFFAOYSA-M
Molecular formula
C14H19F9O4S2
Average molar mass
486.4 g/mol

Names & identifiers

Preferred name
2-Oxo-3,3-dimethylbutyl-thiacyclopentanium nonafluorobutanesulfonate
IUPAC
3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Names & synonyms

2-oxo-3,3-dimethylbutyl-thiacyclopentanium nonafluorobutanesulfonateSCHEMBL44925492-oxo-3,3-dimethylbutyltetrahydrothiophenium perfluorobutanesulfonate2-oxo-3,3-dimethylbutyltetrahydro-thiophenium perfluorobutanesulfonate

Database identifiers

PubChem CID
22564587

Properties

Computed structural properties

Topological polar surface area
83.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
13
Rotatable bonds
5
Heavy atoms
29

Related reactions

3 records

Linked notes

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