1-fluoro-2-hydroxypropane-2-sulfonic acid

C3H7FO4S — CID 89052587

IUPAC1-fluoro-2-hydroxypropane-2-sulfonic acid
SMILESCC(O)(CF)S(=O)(=O)O
InChIInChI=1S/C3H7FO4S/c1-3(5,2-4)9(6,7)8/h5H,2H2,1H3,(H,6,7,8)
InChIKeyUECMEYBBJAOYOD-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.45
Rot. Bonds2

About 1-fluoro-2-hydroxypropane-2-sulfonic acid

1-fluoro-2-hydroxypropane-2-sulfonic acid (PubChem CID 89052587) has the molecular formula C3H7FO4S and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-fluoro-2-hydroxypropane-2-sulfonic acid.

Molecular Properties

Compound Name1-fluoro-2-hydroxypropane-2-sulfonic acid
PubChem CID89052587
Molecular FormulaC3H7FO4S
Molecular Weight158.15 g/mol
Exact Mass158.00
IUPAC Name1-fluoro-2-hydroxypropane-2-sulfonic acid
SMILESCC(O)(CF)S(=O)(=O)O
InChIInChI=1S/C3H7FO4S/c1-3(5,2-4)9(6,7)8/h5H,2H2,1H3,(H,6,7,8)
InChIKeyUECMEYBBJAOYOD-UHFFFAOYSA-N
XLogP-0.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyundecane-2-sulfonic acid
CID 24797633
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
2-chloro-1,2-difluoro-1-hydroxypropane-1-sulfonic acid
CID 87493305
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
3-hydroxybutane-1,2,3-trisulfonic acid
CID 91596496
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2-aminopropane-2-sulfonic acid
CID 18332427
methanethiol;trifluoromethanesulfonic acid
CID 171923949
iodomethane;trifluoromethanesulfonic acid
CID 87959782
CID 86627681
CID 86627681
CID 88500193
CID 88500193

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-hydroxypropane-2-sulfonic acid?
The IUPAC name of 1-fluoro-2-hydroxypropane-2-sulfonic acid (CID 89052587) is 1-fluoro-2-hydroxypropane-2-sulfonic acid.
What is the SMILES notation for 1-fluoro-2-hydroxypropane-2-sulfonic acid?
The canonical SMILES for 1-fluoro-2-hydroxypropane-2-sulfonic acid is CC(O)(CF)S(=O)(=O)O.
What is the InChIKey of 1-fluoro-2-hydroxypropane-2-sulfonic acid?
The InChIKey is UECMEYBBJAOYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO4S/c1-3(5,2-4)9(6,7)8/h5H,2H2,1H3,(H,6,7,8).
What are the key properties of 1-fluoro-2-hydroxypropane-2-sulfonic acid?
1-fluoro-2-hydroxypropane-2-sulfonic acid has a molecular weight of 158.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-hydroxypropane-2-sulfonic acid is sourced from PubChem (CID 89052587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).