2,2,3,3-tetrafluorobutane-1,4-disulfonic acid

C4H6F4O6S2 — CID 175117700

IUPAC2,2,3,3-tetrafluorobutane-1,4-disulfonic acid
SMILESO=S(=O)(O)CC(F)(F)C(F)(F)CS(=O)(=O)O
InChIInChI=1S/C4H6F4O6S2/c5-3(6,1-15(9,10)11)4(7,8)2-16(12,13)14/h1-2H2,(H,9,10,11)(H,12,13,14)
InChIKeyWDGUKKXJIINUMY-UHFFFAOYSA-N
MW290.21 g/mol
LogP0.03
Rot. Bonds5

About 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid

2,2,3,3-tetrafluorobutane-1,4-disulfonic acid (PubChem CID 175117700) has the molecular formula C4H6F4O6S2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluorobutane-1,4-disulfonic acid
PubChem CID175117700
Molecular FormulaC4H6F4O6S2
Molecular Weight290.21 g/mol
Exact Mass289.95
IUPAC Name2,2,3,3-tetrafluorobutane-1,4-disulfonic acid
SMILESO=S(=O)(O)CC(F)(F)C(F)(F)CS(=O)(=O)O
InChIInChI=1S/C4H6F4O6S2/c5-3(6,1-15(9,10)11)4(7,8)2-16(12,13)14/h1-2H2,(H,9,10,11)(H,12,13,14)
InChIKeyWDGUKKXJIINUMY-UHFFFAOYSA-N
XLogP0.03
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid?
The IUPAC name of 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid (CID 175117700) is 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid.
What is the SMILES notation for 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid?
The canonical SMILES for 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid is O=S(=O)(O)CC(F)(F)C(F)(F)CS(=O)(=O)O.
What is the InChIKey of 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid?
The InChIKey is WDGUKKXJIINUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O6S2/c5-3(6,1-15(9,10)11)4(7,8)2-16(12,13)14/h1-2H2,(H,9,10,11)(H,12,13,14).
What are the key properties of 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid?
2,2,3,3-tetrafluorobutane-1,4-disulfonic acid has a molecular weight of 290.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluorobutane-1,4-disulfonic acid is sourced from PubChem (CID 175117700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).