2-fluorooxysulfonylethanesulfonic acid

C2H5FO6S2 — CID 160894861

IUPAC2-fluorooxysulfonylethanesulfonic acid
SMILESO=S(=O)(O)CCS(=O)(=O)OF
InChIInChI=1S/C2H5FO6S2/c3-9-11(7,8)2-1-10(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyOYVQJSXHGUQCBM-UHFFFAOYSA-N
MW208.19 g/mol
LogP-0.89
Rot. Bonds4

About 2-fluorooxysulfonylethanesulfonic acid

2-fluorooxysulfonylethanesulfonic acid (PubChem CID 160894861) has the molecular formula C2H5FO6S2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-fluorooxysulfonylethanesulfonic acid.

Molecular Properties

Compound Name2-fluorooxysulfonylethanesulfonic acid
PubChem CID160894861
Molecular FormulaC2H5FO6S2
Molecular Weight208.19 g/mol
Exact Mass207.95
IUPAC Name2-fluorooxysulfonylethanesulfonic acid
SMILESO=S(=O)(O)CCS(=O)(=O)OF
InChIInChI=1S/C2H5FO6S2/c3-9-11(7,8)2-1-10(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyOYVQJSXHGUQCBM-UHFFFAOYSA-N
XLogP-0.89
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mercaptoethanesulfonic acid
CID 598
1,3-Propanedisulfonic acid
CID 428573
1,2-Ethanedisulfonic Acid
CID 8032
Ethanedisulfonate
CID 3647008
2-Fluoroethane-1-sulfonic acid
CID 18400379
Silver 2-sulfanylethanesulfonic acid
CID 502213
Ethane-1,1-disulfonic Acid
CID 182648
1,1,2-Ethanetrisulfonic acid
CID 407190
1,2-Ethanedisulfonic acid dihydrate
CID 57346009
2-Sulfoethanethiolate
CID 445252
2-((Methylsulfonyl)thio)ethanesulfonic acid
CID 3509089
3-Hydroxysulfonothioylpropane-1-sulfonic acid
CID 20835979

Frequently Asked Questions

What is the IUPAC name of 2-fluorooxysulfonylethanesulfonic acid?
The IUPAC name of 2-fluorooxysulfonylethanesulfonic acid (CID 160894861) is 2-fluorooxysulfonylethanesulfonic acid.
What is the SMILES notation for 2-fluorooxysulfonylethanesulfonic acid?
The canonical SMILES for 2-fluorooxysulfonylethanesulfonic acid is O=S(=O)(O)CCS(=O)(=O)OF.
What is the InChIKey of 2-fluorooxysulfonylethanesulfonic acid?
The InChIKey is OYVQJSXHGUQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FO6S2/c3-9-11(7,8)2-1-10(4,5)6/h1-2H2,(H,4,5,6).
What are the key properties of 2-fluorooxysulfonylethanesulfonic acid?
2-fluorooxysulfonylethanesulfonic acid has a molecular weight of 208.19 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorooxysulfonylethanesulfonic acid is sourced from PubChem (CID 160894861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).