1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid

C5H8F4O4S — CID 58036987

IUPAC1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C5H8F4O4S/c6-4(7,2-1-3-10)5(8,9)14(11,12)13/h10H,1-3H2,(H,11,12,13)
InChIKeyYIAOJXDXNNDCSF-UHFFFAOYSA-N
MW240.17 g/mol
LogP0.87
Rot. Bonds5

About 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid

1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid (PubChem CID 58036987) has the molecular formula C5H8F4O4S and a molecular weight of 240.17 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid
PubChem CID58036987
Molecular FormulaC5H8F4O4S
Molecular Weight240.17 g/mol
Exact Mass240.01
IUPAC Name1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C5H8F4O4S/c6-4(7,2-1-3-10)5(8,9)14(11,12)13/h10H,1-3H2,(H,11,12,13)
InChIKeyYIAOJXDXNNDCSF-UHFFFAOYSA-N
XLogP0.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid (CID 58036987) is 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)CCCO.
What is the InChIKey of 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid?
The InChIKey is YIAOJXDXNNDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O4S/c6-4(7,2-1-3-10)5(8,9)14(11,12)13/h10H,1-3H2,(H,11,12,13).
What are the key properties of 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid?
1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid has a molecular weight of 240.17 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonic acid is sourced from PubChem (CID 58036987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).