fluoro octane-1-sulfonate

C8H17FO3S — CID 22483718

IUPACfluoro octane-1-sulfonate
SMILESCCCCCCCCS(=O)(=O)OF
InChIInChI=1S/C8H17FO3S/c1-2-3-4-5-6-7-8-13(10,11)12-9/h2-8H2,1H3
InChIKeyHMNRWZUZCSOXOB-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.58
Rot. Bonds8

About fluoro octane-1-sulfonate

fluoro octane-1-sulfonate (PubChem CID 22483718) has the molecular formula C8H17FO3S and a molecular weight of 212.29 g/mol. Its IUPAC name is fluoro octane-1-sulfonate.

Molecular Properties

Compound Namefluoro octane-1-sulfonate
PubChem CID22483718
Molecular FormulaC8H17FO3S
Molecular Weight212.29 g/mol
Exact Mass212.09
IUPAC Namefluoro octane-1-sulfonate
SMILESCCCCCCCCS(=O)(=O)OF
InChIInChI=1S/C8H17FO3S/c1-2-3-4-5-6-7-8-13(10,11)12-9/h2-8H2,1H3
InChIKeyHMNRWZUZCSOXOB-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro octane-1-sulfonate?
The IUPAC name of fluoro octane-1-sulfonate (CID 22483718) is fluoro octane-1-sulfonate.
What is the SMILES notation for fluoro octane-1-sulfonate?
The canonical SMILES for fluoro octane-1-sulfonate is CCCCCCCCS(=O)(=O)OF.
What is the InChIKey of fluoro octane-1-sulfonate?
The InChIKey is HMNRWZUZCSOXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO3S/c1-2-3-4-5-6-7-8-13(10,11)12-9/h2-8H2,1H3.
What are the key properties of fluoro octane-1-sulfonate?
fluoro octane-1-sulfonate has a molecular weight of 212.29 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro octane-1-sulfonate is sourced from PubChem (CID 22483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).