ethanesulfonic acid;pentahydrofluoride

C2H11F5O3S — CID 172724432

IUPACethanesulfonic acid;pentahydrofluoride
SMILESCCS(=O)(=O)O.F.F.F.F.F
InChIInChI=1S/C2H6O3S.5FH/c1-2-6(3,4)5;;;;;/h2H2,1H3,(H,3,4,5);5*1H
InChIKeyGYKGOTFLGIQPFQ-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.66
Rot. Bonds1

About ethanesulfonic acid;pentahydrofluoride

ethanesulfonic acid;pentahydrofluoride (PubChem CID 172724432) has the molecular formula C2H11F5O3S and a molecular weight of 210.16 g/mol. Its IUPAC name is ethanesulfonic acid;pentahydrofluoride.

Molecular Properties

Compound Nameethanesulfonic acid;pentahydrofluoride
PubChem CID172724432
Molecular FormulaC2H11F5O3S
Molecular Weight210.16 g/mol
Exact Mass210.03
IUPAC Nameethanesulfonic acid;pentahydrofluoride
SMILESCCS(=O)(=O)O.F.F.F.F.F
InChIInChI=1S/C2H6O3S.5FH/c1-2-6(3,4)5;;;;;/h2H2,1H3,(H,3,4,5);5*1H
InChIKeyGYKGOTFLGIQPFQ-UHFFFAOYSA-N
XLogP0.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;pentahydrofluoride?
The IUPAC name of ethanesulfonic acid;pentahydrofluoride (CID 172724432) is ethanesulfonic acid;pentahydrofluoride.
What is the SMILES notation for ethanesulfonic acid;pentahydrofluoride?
The canonical SMILES for ethanesulfonic acid;pentahydrofluoride is CCS(=O)(=O)O.F.F.F.F.F.
What is the InChIKey of ethanesulfonic acid;pentahydrofluoride?
The InChIKey is GYKGOTFLGIQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.5FH/c1-2-6(3,4)5;;;;;/h2H2,1H3,(H,3,4,5);5*1H.
What are the key properties of ethanesulfonic acid;pentahydrofluoride?
ethanesulfonic acid;pentahydrofluoride has a molecular weight of 210.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;pentahydrofluoride is sourced from PubChem (CID 172724432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).