1-fluoropropane-2-sulfonic acid;hydrofluoride

C3H8F2O3S — CID 174429339

IUPAC1-fluoropropane-2-sulfonic acid;hydrofluoride
SMILESCC(CF)S(=O)(=O)O.F
InChIInChI=1S/C3H7FO3S.FH/c1-3(2-4)8(5,6)7;/h3H,2H2,1H3,(H,5,6,7);1H
InChIKeyFCMYRRXXEACYSZ-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.38
Rot. Bonds2

About 1-fluoropropane-2-sulfonic acid;hydrofluoride

1-fluoropropane-2-sulfonic acid;hydrofluoride (PubChem CID 174429339) has the molecular formula C3H8F2O3S and a molecular weight of 162.16 g/mol. Its IUPAC name is 1-fluoropropane-2-sulfonic acid;hydrofluoride.

Molecular Properties

Compound Name1-fluoropropane-2-sulfonic acid;hydrofluoride
PubChem CID174429339
Molecular FormulaC3H8F2O3S
Molecular Weight162.16 g/mol
Exact Mass162.02
IUPAC Name1-fluoropropane-2-sulfonic acid;hydrofluoride
SMILESCC(CF)S(=O)(=O)O.F
InChIInChI=1S/C3H7FO3S.FH/c1-3(2-4)8(5,6)7;/h3H,2H2,1H3,(H,5,6,7);1H
InChIKeyFCMYRRXXEACYSZ-UHFFFAOYSA-N
XLogP0.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.38
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

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(2R)-1-aminopropane-2-sulfonic acid
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CID 87069248
CID 87069248
oct-4-yne-2,7-disulfonic acid
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tetradecane-2,13-disulfonic acid
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potassium 1-aminopropane-2-sulfonic acid
CID 23077128
4-silylbutane-2-sulfonic acid
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ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075
1-fluoropropane-2-sulfonamide
CID 175141025
sulfuric acid;tetramethylphosphanium
CID 87132357
sodium;hydride;1-(methylamino)propane-2-sulfonic acid
CID 174188529

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane-2-sulfonic acid;hydrofluoride?
The IUPAC name of 1-fluoropropane-2-sulfonic acid;hydrofluoride (CID 174429339) is 1-fluoropropane-2-sulfonic acid;hydrofluoride.
What is the SMILES notation for 1-fluoropropane-2-sulfonic acid;hydrofluoride?
The canonical SMILES for 1-fluoropropane-2-sulfonic acid;hydrofluoride is CC(CF)S(=O)(=O)O.F.
What is the InChIKey of 1-fluoropropane-2-sulfonic acid;hydrofluoride?
The InChIKey is FCMYRRXXEACYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO3S.FH/c1-3(2-4)8(5,6)7;/h3H,2H2,1H3,(H,5,6,7);1H.
What are the key properties of 1-fluoropropane-2-sulfonic acid;hydrofluoride?
1-fluoropropane-2-sulfonic acid;hydrofluoride has a molecular weight of 162.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-2-sulfonic acid;hydrofluoride is sourced from PubChem (CID 174429339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).