1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate

C4H2F7O3S- — CID 154053922

IUPAC1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H3F7O3S/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14/h1H2,(H,12,13,14)/p-1
InChIKeyGYCNSUNBVQXILY-UHFFFAOYSA-M
MW263.11 g/mol
LogP1.36
Rot. Bonds4

About 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate

1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate (PubChem CID 154053922) has the molecular formula C4H2F7O3S- and a molecular weight of 263.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
PubChem CID154053922
Molecular FormulaC4H2F7O3S-
Molecular Weight263.11 g/mol
Exact Mass262.96
IUPAC Name1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H3F7O3S/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14/h1H2,(H,12,13,14)/p-1
InChIKeyGYCNSUNBVQXILY-UHFFFAOYSA-M
XLogP1.36
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 122482027
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate
CID 122482009
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
azanium 1,1,2,2,3,3,11,11,11-nonafluoroundecane-1-sulfonate
CID 141491973
potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
CID 122481336
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluorodecane-1-sulfonate
CID 175160408

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
The IUPAC name of 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate (CID 154053922) is 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
The InChIKey is GYCNSUNBVQXILY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F7O3S/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14/h1H2,(H,12,13,14)/p-1.
What are the key properties of 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate?
1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate has a molecular weight of 263.11 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate is sourced from PubChem (CID 154053922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).