2-fluoro-2-fluorosulfonylpropanoic acid

C3H4F2O4S — CID 139448801

IUPAC2-fluoro-2-fluorosulfonylpropanoic acid
SMILESCC(F)(C(=O)O)S(=O)(=O)F
InChIInChI=1S/C3H4F2O4S/c1-3(4,2(6)7)10(5,8)9/h1H3,(H,6,7)
InChIKeyJDXXEBZGFRGIAB-UHFFFAOYSA-N
MW174.12 g/mol
LogP0.06
Rot. Bonds2

About 2-fluoro-2-fluorosulfonylpropanoic acid

2-fluoro-2-fluorosulfonylpropanoic acid (PubChem CID 139448801) has the molecular formula C3H4F2O4S and a molecular weight of 174.12 g/mol. Its IUPAC name is 2-fluoro-2-fluorosulfonylpropanoic acid.

Molecular Properties

Compound Name2-fluoro-2-fluorosulfonylpropanoic acid
PubChem CID139448801
Molecular FormulaC3H4F2O4S
Molecular Weight174.12 g/mol
Exact Mass173.98
IUPAC Name2-fluoro-2-fluorosulfonylpropanoic acid
SMILESCC(F)(C(=O)O)S(=O)(=O)F
InChIInChI=1S/C3H4F2O4S/c1-3(4,2(6)7)10(5,8)9/h1H3,(H,6,7)
InChIKeyJDXXEBZGFRGIAB-UHFFFAOYSA-N
XLogP0.06
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;2,2-difluoro-2-fluorosulfonylacetic acid;hydride
CID 174884700
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
2,2-difluoro-2-fluorosulfonylacetic acid;2,2-dimethylundecane
CID 157183639
2,2-dimethylpropanoic acid
CID 87781698
methyl hydrogen sulfate;2,2,2-trifluoroacetic acid
CID 172730808
lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid
CID 174054799
lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
CID 175720054
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
CID 10773173
sulfurothioic O-acid;2,2,2-trifluoroacetic acid
CID 87348477
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
2,2-ditert-butyl-3,3-dimethylbutanoic acid
CID 24975659
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-fluorosulfonylpropanoic acid?
The IUPAC name of 2-fluoro-2-fluorosulfonylpropanoic acid (CID 139448801) is 2-fluoro-2-fluorosulfonylpropanoic acid.
What is the SMILES notation for 2-fluoro-2-fluorosulfonylpropanoic acid?
The canonical SMILES for 2-fluoro-2-fluorosulfonylpropanoic acid is CC(F)(C(=O)O)S(=O)(=O)F.
What is the InChIKey of 2-fluoro-2-fluorosulfonylpropanoic acid?
The InChIKey is JDXXEBZGFRGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O4S/c1-3(4,2(6)7)10(5,8)9/h1H3,(H,6,7).
What are the key properties of 2-fluoro-2-fluorosulfonylpropanoic acid?
2-fluoro-2-fluorosulfonylpropanoic acid has a molecular weight of 174.12 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-fluorosulfonylpropanoic acid is sourced from PubChem (CID 139448801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).