propane-1-sulfonic acid;heptahydrofluoride

C3H15F7O3S — CID 158607629

IUPACpropane-1-sulfonic acid;heptahydrofluoride
SMILESCCCS(=O)(=O)O.F.F.F.F.F.F.F
InChIInChI=1S/C3H8O3S.7FH/c1-2-3-7(4,5)6;;;;;;;/h2-3H2,1H3,(H,4,5,6);7*1H
InChIKeyLSLJLONQRADGHI-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.35
Rot. Bonds2

About propane-1-sulfonic acid;heptahydrofluoride

propane-1-sulfonic acid;heptahydrofluoride (PubChem CID 158607629) has the molecular formula C3H15F7O3S and a molecular weight of 264.20 g/mol. Its IUPAC name is propane-1-sulfonic acid;heptahydrofluoride.

Molecular Properties

Compound Namepropane-1-sulfonic acid;heptahydrofluoride
PubChem CID158607629
Molecular FormulaC3H15F7O3S
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Namepropane-1-sulfonic acid;heptahydrofluoride
SMILESCCCS(=O)(=O)O.F.F.F.F.F.F.F
InChIInChI=1S/C3H8O3S.7FH/c1-2-3-7(4,5)6;;;;;;;/h2-3H2,1H3,(H,4,5,6);7*1H
InChIKeyLSLJLONQRADGHI-UHFFFAOYSA-N
XLogP1.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane-1-sulfonic acid;heptahydrofluoride?
The IUPAC name of propane-1-sulfonic acid;heptahydrofluoride (CID 158607629) is propane-1-sulfonic acid;heptahydrofluoride.
What is the SMILES notation for propane-1-sulfonic acid;heptahydrofluoride?
The canonical SMILES for propane-1-sulfonic acid;heptahydrofluoride is CCCS(=O)(=O)O.F.F.F.F.F.F.F.
What is the InChIKey of propane-1-sulfonic acid;heptahydrofluoride?
The InChIKey is LSLJLONQRADGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S.7FH/c1-2-3-7(4,5)6;;;;;;;/h2-3H2,1H3,(H,4,5,6);7*1H.
What are the key properties of propane-1-sulfonic acid;heptahydrofluoride?
propane-1-sulfonic acid;heptahydrofluoride has a molecular weight of 264.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-sulfonic acid;heptahydrofluoride is sourced from PubChem (CID 158607629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).