1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride

C5H2F12O3S — CID 174742552

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O3S.FH/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);1H
InChIKeyPRDXKPXUQOLDOJ-UHFFFAOYSA-N
MW370.11 g/mol
LogP3.09
Rot. Bonds4

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride (PubChem CID 174742552) has the molecular formula C5H2F12O3S and a molecular weight of 370.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
PubChem CID174742552
Molecular FormulaC5H2F12O3S
Molecular Weight370.11 g/mol
Exact Mass369.95
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O3S.FH/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);1H
InChIKeyPRDXKPXUQOLDOJ-UHFFFAOYSA-N
XLogP3.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride (CID 174742552) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride is F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride?
The InChIKey is PRDXKPXUQOLDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O3S.FH/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);1H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride?
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride has a molecular weight of 370.11 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride is sourced from PubChem (CID 174742552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).