3-Methoxy-3-methylbutyl 2,3,4,5,6-pentafluorobenzenesulfonate

HCID 86761981
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Basic information

Standard SMILES
COC(C)(C)CCOS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIKey
VWSBJOHLVAXKNX-UHFFFAOYSA-N
Molecular formula
C12H13F5O4S
Average molar mass
348.29 g/mol
Monoisotopic mass
348.04547088

Names & identifiers

Preferred name
3-Methoxy-3-methylbutyl 2,3,4,5,6-pentafluorobenzenesulfonate
IUPAC
(3-methoxy-3-methylbutyl) 2,3,4,5,6-pentafluorobenzenesulfonate

Names & synonyms

SCHEMBL15152530VWSBJOHLVAXKNX-UHFFFAOYSA-N3-Methoxy-3-methylbutyl 2,3,4,5,6-pentafluorobenzenesulfonate

Database identifiers

PubChem CID
86761981

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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