sulfino 1,1-difluoroethanesulfonate

C2H4F2O5S2 — CID 167019444

IUPACsulfino 1,1-difluoroethanesulfonate
SMILESCC(F)(F)S(=O)(=O)OS(=O)O
InChIInChI=1S/C2H4F2O5S2/c1-2(3,4)11(7,8)9-10(5)6/h1H3,(H,5,6)
InChIKeyKWDDVTYJHSOPPG-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.08
Rot. Bonds3

About sulfino 1,1-difluoroethanesulfonate

sulfino 1,1-difluoroethanesulfonate (PubChem CID 167019444) has the molecular formula C2H4F2O5S2 and a molecular weight of 210.18 g/mol. Its IUPAC name is sulfino 1,1-difluoroethanesulfonate.

Molecular Properties

Compound Namesulfino 1,1-difluoroethanesulfonate
PubChem CID167019444
Molecular FormulaC2H4F2O5S2
Molecular Weight210.18 g/mol
Exact Mass209.95
IUPAC Namesulfino 1,1-difluoroethanesulfonate
SMILESCC(F)(F)S(=O)(=O)OS(=O)O
InChIInChI=1S/C2H4F2O5S2/c1-2(3,4)11(7,8)9-10(5)6/h1H3,(H,5,6)
InChIKeyKWDDVTYJHSOPPG-UHFFFAOYSA-N
XLogP0.08
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfino 1,1-difluoroethanesulfonate?
The IUPAC name of sulfino 1,1-difluoroethanesulfonate (CID 167019444) is sulfino 1,1-difluoroethanesulfonate.
What is the SMILES notation for sulfino 1,1-difluoroethanesulfonate?
The canonical SMILES for sulfino 1,1-difluoroethanesulfonate is CC(F)(F)S(=O)(=O)OS(=O)O.
What is the InChIKey of sulfino 1,1-difluoroethanesulfonate?
The InChIKey is KWDDVTYJHSOPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O5S2/c1-2(3,4)11(7,8)9-10(5)6/h1H3,(H,5,6).
What are the key properties of sulfino 1,1-difluoroethanesulfonate?
sulfino 1,1-difluoroethanesulfonate has a molecular weight of 210.18 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfino 1,1-difluoroethanesulfonate is sourced from PubChem (CID 167019444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).