2-fluorosulfonylpropanoic acid

C3H5FO4S — CID 132647838

IUPAC2-fluorosulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)F
InChIInChI=1S/C3H5FO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6)
InChIKeyWDFSZHIPZODIFC-UHFFFAOYSA-N
MW156.13 g/mol
LogP-0.24
Rot. Bonds2

About 2-fluorosulfonylpropanoic acid

2-fluorosulfonylpropanoic acid (PubChem CID 132647838) has the molecular formula C3H5FO4S and a molecular weight of 156.13 g/mol. Its IUPAC name is 2-fluorosulfonylpropanoic acid.

Molecular Properties

Compound Name2-fluorosulfonylpropanoic acid
PubChem CID132647838
Molecular FormulaC3H5FO4S
Molecular Weight156.13 g/mol
Exact Mass155.99
IUPAC Name2-fluorosulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)F
InChIInChI=1S/C3H5FO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6)
InChIKeyWDFSZHIPZODIFC-UHFFFAOYSA-N
XLogP-0.24
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Sulfopropionic acid
CID 409694
2-Sulfopropanoic acid
CID 423699
2-Sulfamoylpropanoic acid
CID 19833533
Sodium 2-carboxyethane-1-sulfonate
CID 121553292
3-(Fluorosulfonyl)propanoic acid
CID 166746869
3-Sulfinopropionic acid
CID 3016737
3-(Fluorosulfonyl)-2-methylpropanoic acid
CID 167722623
Sulphinopropionic acid
CID 55300468
3,3-Difluoro-2-fluorosulfonylpropanoic acid
CID 23444749
2,2-Difluoro-3-fluorosulfonylpropanoic acid
CID 87176616
2-Fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
3-Fluoro-3-sulfopropanoic acid
CID 149269105

Frequently Asked Questions

What is the IUPAC name of 2-fluorosulfonylpropanoic acid?
The IUPAC name of 2-fluorosulfonylpropanoic acid (CID 132647838) is 2-fluorosulfonylpropanoic acid.
What is the SMILES notation for 2-fluorosulfonylpropanoic acid?
The canonical SMILES for 2-fluorosulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)F.
What is the InChIKey of 2-fluorosulfonylpropanoic acid?
The InChIKey is WDFSZHIPZODIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO4S/c1-2(3(5)6)9(4,7)8/h2H,1H3,(H,5,6).
What are the key properties of 2-fluorosulfonylpropanoic acid?
2-fluorosulfonylpropanoic acid has a molecular weight of 156.13 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorosulfonylpropanoic acid is sourced from PubChem (CID 132647838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).