ethanesulfonic acid;hexahydrofluoride

C2H12F6O3S — CID 174503180

IUPACethanesulfonic acid;hexahydrofluoride
SMILESCCS(=O)(=O)O.F.F.F.F.F.F
InChIInChI=1S/C2H6O3S.6FH/c1-2-6(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);6*1H
InChIKeyDGFOMCKFDPDNFG-UHFFFAOYSA-N
MW230.17 g/mol
LogP0.81
Rot. Bonds1

About ethanesulfonic acid;hexahydrofluoride

ethanesulfonic acid;hexahydrofluoride (PubChem CID 174503180) has the molecular formula C2H12F6O3S and a molecular weight of 230.17 g/mol. Its IUPAC name is ethanesulfonic acid;hexahydrofluoride.

Molecular Properties

Compound Nameethanesulfonic acid;hexahydrofluoride
PubChem CID174503180
Molecular FormulaC2H12F6O3S
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Nameethanesulfonic acid;hexahydrofluoride
SMILESCCS(=O)(=O)O.F.F.F.F.F.F
InChIInChI=1S/C2H6O3S.6FH/c1-2-6(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);6*1H
InChIKeyDGFOMCKFDPDNFG-UHFFFAOYSA-N
XLogP0.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 50.81
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;hexahydrofluoride?
The IUPAC name of ethanesulfonic acid;hexahydrofluoride (CID 174503180) is ethanesulfonic acid;hexahydrofluoride.
What is the SMILES notation for ethanesulfonic acid;hexahydrofluoride?
The canonical SMILES for ethanesulfonic acid;hexahydrofluoride is CCS(=O)(=O)O.F.F.F.F.F.F.
What is the InChIKey of ethanesulfonic acid;hexahydrofluoride?
The InChIKey is DGFOMCKFDPDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.6FH/c1-2-6(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);6*1H.
What are the key properties of ethanesulfonic acid;hexahydrofluoride?
ethanesulfonic acid;hexahydrofluoride has a molecular weight of 230.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;hexahydrofluoride is sourced from PubChem (CID 174503180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).