2-methylpropane-2-sulfonic acid;hydrofluoride

C4H11FO3S — CID 87671931

IUPAC2-methylpropane-2-sulfonic acid;hydrofluoride
SMILESCC(C)(C)S(=O)(=O)O.F
InChIInChI=1S/C4H10O3S.FH/c1-4(2,3)8(5,6)7;/h1-3H3,(H,5,6,7);1H
InChIKeyMCAYOFGTZUCXGD-UHFFFAOYSA-N
MW158.19 g/mol
LogP0.83
Rot. Bonds

About 2-methylpropane-2-sulfonic acid;hydrofluoride

2-methylpropane-2-sulfonic acid;hydrofluoride (PubChem CID 87671931) has the molecular formula C4H11FO3S and a molecular weight of 158.19 g/mol. Its IUPAC name is 2-methylpropane-2-sulfonic acid;hydrofluoride.

Molecular Properties

Compound Name2-methylpropane-2-sulfonic acid;hydrofluoride
PubChem CID87671931
Molecular FormulaC4H11FO3S
Molecular Weight158.19 g/mol
Exact Mass158.04
IUPAC Name2-methylpropane-2-sulfonic acid;hydrofluoride
SMILESCC(C)(C)S(=O)(=O)O.F
InChIInChI=1S/C4H10O3S.FH/c1-4(2,3)8(5,6)7;/h1-3H3,(H,5,6,7);1H
InChIKeyMCAYOFGTZUCXGD-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.83
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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Related Compounds

ethanesulfonic acid;2-methylpropane-2-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-sulfonic acid;hydrofluoride?
The IUPAC name of 2-methylpropane-2-sulfonic acid;hydrofluoride (CID 87671931) is 2-methylpropane-2-sulfonic acid;hydrofluoride.
What is the SMILES notation for 2-methylpropane-2-sulfonic acid;hydrofluoride?
The canonical SMILES for 2-methylpropane-2-sulfonic acid;hydrofluoride is CC(C)(C)S(=O)(=O)O.F.
What is the InChIKey of 2-methylpropane-2-sulfonic acid;hydrofluoride?
The InChIKey is MCAYOFGTZUCXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S.FH/c1-4(2,3)8(5,6)7;/h1-3H3,(H,5,6,7);1H.
What are the key properties of 2-methylpropane-2-sulfonic acid;hydrofluoride?
2-methylpropane-2-sulfonic acid;hydrofluoride has a molecular weight of 158.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-sulfonic acid;hydrofluoride is sourced from PubChem (CID 87671931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).