2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid

C4H7FO5S — CID 148521248

IUPAC2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid
SMILESCOC(=O)C(C)(F)S(=O)(=O)O
InChIInChI=1S/C4H7FO5S/c1-4(5,3(6)10-2)11(7,8)9/h1-2H3,(H,7,8,9)
InChIKeyMOLIMHAFTLUGNG-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.27
Rot. Bonds2

About 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid

2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid (PubChem CID 148521248) has the molecular formula C4H7FO5S and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid.

Molecular Properties

Compound Name2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid
PubChem CID148521248
Molecular FormulaC4H7FO5S
Molecular Weight186.16 g/mol
Exact Mass186.00
IUPAC Name2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid
SMILESCOC(=O)C(C)(F)S(=O)(=O)O
InChIInChI=1S/C4H7FO5S/c1-4(5,3(6)10-2)11(7,8)9/h1-2H3,(H,7,8,9)
InChIKeyMOLIMHAFTLUGNG-UHFFFAOYSA-N
XLogP-0.27
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid?
The IUPAC name of 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid (CID 148521248) is 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid.
What is the SMILES notation for 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid?
The canonical SMILES for 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid is COC(=O)C(C)(F)S(=O)(=O)O.
What is the InChIKey of 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid?
The InChIKey is MOLIMHAFTLUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO5S/c1-4(5,3(6)10-2)11(7,8)9/h1-2H3,(H,7,8,9).
What are the key properties of 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid?
2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid has a molecular weight of 186.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-1-oxopropane-2-sulfonic acid is sourced from PubChem (CID 148521248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).