sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid

C4H8F4O3S2 — CID 22182351

IUPACsulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid
SMILESCCC(F)(F)C(F)(F)S(=O)(=O)O.S
InChIInChI=1S/C4H6F4O3S.H2S/c1-2-3(5,6)4(7,8)12(9,10)11;/h2H2,1H3,(H,9,10,11);1H2
InChIKeyIZSRRKGPPABOSK-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.63
Rot. Bonds3

About sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid

sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid (PubChem CID 22182351) has the molecular formula C4H8F4O3S2 and a molecular weight of 244.23 g/mol. Its IUPAC name is sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid.

Molecular Properties

Compound Namesulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid
PubChem CID22182351
Molecular FormulaC4H8F4O3S2
Molecular Weight244.23 g/mol
Exact Mass243.99
IUPAC Namesulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid
SMILESCCC(F)(F)C(F)(F)S(=O)(=O)O.S
InChIInChI=1S/C4H6F4O3S.H2S/c1-2-3(5,6)4(7,8)12(9,10)11;/h2H2,1H3,(H,9,10,11);1H2
InChIKeyIZSRRKGPPABOSK-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid
CID 3018003
Pfsa-H; C4H2F8O3S
CID 59736185
1,1,2,2,3,3,4,4,5-Nonafluorohexane-1-sulfonic acid
CID 122480878
Propane;tris(trifluoromethanesulfonic acid)
CID 134991596
1,1,2-Trifluorobutane-1-sulfonic acid
CID 17817337
1,1,2,2-Tetrafluorobutane-1-sulfonate
CID 20734473
1,1,2,2-Tetrafluorobutane-1-sulfonic acid
CID 20734474
1,1-Difluoropropane-1-sulfonic acid
CID 21946927
1,1,2,2-Tetrafluoropropane-1-sulfonic acid
CID 21946946
1,1,1-Trifluoro-2-(trifluoromethyl)butane-2-sulfonic acid
CID 21946948
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-sulfonic acid
CID 21946958
1,1-Difluorobutane-1-sulfonic acid
CID 21946970

Frequently Asked Questions

What is the IUPAC name of sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid?
The IUPAC name of sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid (CID 22182351) is sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid.
What is the SMILES notation for sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid?
The canonical SMILES for sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid is CCC(F)(F)C(F)(F)S(=O)(=O)O.S.
What is the InChIKey of sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid?
The InChIKey is IZSRRKGPPABOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O3S.H2S/c1-2-3(5,6)4(7,8)12(9,10)11;/h2H2,1H3,(H,9,10,11);1H2.
What are the key properties of sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid?
sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid has a molecular weight of 244.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid is sourced from PubChem (CID 22182351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).