3-fluorosulfonyl-2-methylpropanoic acid

C4H7FO4S — CID 167722623

IUPAC3-fluorosulfonyl-2-methylpropanoic acid
SMILESCC(CS(=O)(=O)F)C(=O)O
InChIInChI=1S/C4H7FO4S/c1-3(4(6)7)2-10(5,8)9/h3H,2H2,1H3,(H,6,7)
InChIKeyDLDCFSMURQVMHX-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.01
Rot. Bonds3

About 3-fluorosulfonyl-2-methylpropanoic acid

3-fluorosulfonyl-2-methylpropanoic acid (PubChem CID 167722623) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-fluorosulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-fluorosulfonyl-2-methylpropanoic acid
PubChem CID167722623
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Name3-fluorosulfonyl-2-methylpropanoic acid
SMILESCC(CS(=O)(=O)F)C(=O)O
InChIInChI=1S/C4H7FO4S/c1-3(4(6)7)2-10(5,8)9/h3H,2H2,1H3,(H,6,7)
InChIKeyDLDCFSMURQVMHX-UHFFFAOYSA-N
XLogP0.01
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonyl-2-methylpropanoic acid
CID 22142344
3-(Fluorosulfonyl)propanoic acid
CID 166746869
2-Methyl-3-sulfinopropanoic acid
CID 2828757
2-Fluorosulfonylpropanoic acid
CID 132647838
2-(Ethylsulfonylsulfanylmethyl)-3,3,3-trifluoropropanoic acid
CID 151749785
3-(Fluoromethylsulfonyl)-2-methylpropanoic acid
CID 84718828
3,3,3-Trifluoro-2-(sulfomethyl)propanoic acid
CID 162541847
2-(Fluorosulfonyl)-2-methylpropanoic acid
CID 165452861
4-Fluorosulfonylbutanoic acid
CID 170913372
3-Hydroxy-2-methyl-3-oxopropane-1-sulfinate
CID 3805367
1-Hydroxy-1-oxopropane-2-sulfonate
CID 4566596
Propanoic acid, 2-methyl-3-(methylsulfonyl)-, (S)-
CID 15814191

Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyl-2-methylpropanoic acid?
The IUPAC name of 3-fluorosulfonyl-2-methylpropanoic acid (CID 167722623) is 3-fluorosulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 3-fluorosulfonyl-2-methylpropanoic acid?
The canonical SMILES for 3-fluorosulfonyl-2-methylpropanoic acid is CC(CS(=O)(=O)F)C(=O)O.
What is the InChIKey of 3-fluorosulfonyl-2-methylpropanoic acid?
The InChIKey is DLDCFSMURQVMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-3(4(6)7)2-10(5,8)9/h3H,2H2,1H3,(H,6,7).
What are the key properties of 3-fluorosulfonyl-2-methylpropanoic acid?
3-fluorosulfonyl-2-methylpropanoic acid has a molecular weight of 170.16 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 167722623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).