3-fluorosulfonylpropanoic acid

C3H5FO4S — CID 166746869

IUPAC3-fluorosulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)F
InChIInChI=1S/C3H5FO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)
InChIKeyCUHPZZWFBGNHNY-UHFFFAOYSA-N
MW156.13 g/mol
LogP-0.24
Rot. Bonds3

About 3-fluorosulfonylpropanoic acid

3-fluorosulfonylpropanoic acid (PubChem CID 166746869) has the molecular formula C3H5FO4S and a molecular weight of 156.13 g/mol. Its IUPAC name is 3-fluorosulfonylpropanoic acid.

Molecular Properties

Compound Name3-fluorosulfonylpropanoic acid
PubChem CID166746869
Molecular FormulaC3H5FO4S
Molecular Weight156.13 g/mol
Exact Mass155.99
IUPAC Name3-fluorosulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)F
InChIInChI=1S/C3H5FO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)
InChIKeyCUHPZZWFBGNHNY-UHFFFAOYSA-N
XLogP-0.24
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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
3-Sulfamoylpropanoic acid
CID 21718767
2-(Fluorosulfonyl)acetic acid
CID 13667654
Sodium 2-carboxyethane-1-sulfonate
CID 121553292
3-Sulfinopropionic acid
CID 3016737
3-(Fluorosulfonyl)-2-methylpropanoic acid
CID 167722623
Sulphinopropionic acid
CID 55300468
2,3-Bis(sulfanyl)-2-sulfopropanoic acid
CID 87350390
3,3,3-Trifluoro-2-fluorosulfonylpropanoic acid
CID 129988474
3,3-Difluoro-2-fluorosulfonylpropanoic acid
CID 23444749
2,2-Difluoro-3-fluorosulfonylpropanoic acid
CID 87176616

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonylpropanoic acid?
The IUPAC name of 3-fluorosulfonylpropanoic acid (CID 166746869) is 3-fluorosulfonylpropanoic acid.
What is the SMILES notation for 3-fluorosulfonylpropanoic acid?
The canonical SMILES for 3-fluorosulfonylpropanoic acid is O=C(O)CCS(=O)(=O)F.
What is the InChIKey of 3-fluorosulfonylpropanoic acid?
The InChIKey is CUHPZZWFBGNHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6).
What are the key properties of 3-fluorosulfonylpropanoic acid?
3-fluorosulfonylpropanoic acid has a molecular weight of 156.13 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonylpropanoic acid is sourced from PubChem (CID 166746869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).