2-fluorosulfonyl-2-methylpropanoic acid

C4H7FO4S — CID 165452861

IUPAC2-fluorosulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c1-4(2,3(6)7)10(5,8)9/h1-2H3,(H,6,7)
InChIKeyYBZHHVLADBSLDS-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.15
Rot. Bonds2

About 2-fluorosulfonyl-2-methylpropanoic acid

2-fluorosulfonyl-2-methylpropanoic acid (PubChem CID 165452861) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-fluorosulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-fluorosulfonyl-2-methylpropanoic acid
PubChem CID165452861
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Name2-fluorosulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c1-4(2,3(6)7)10(5,8)9/h1-2H3,(H,6,7)
InChIKeyYBZHHVLADBSLDS-UHFFFAOYSA-N
XLogP0.15
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Fluorosulfonyl)propanoic acid
CID 166746869
3-(Fluorosulfonyl)-2-methylpropanoic acid
CID 167722623
2-Fluorosulfonylpropanoic acid
CID 132647838
2-Fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
2-Fluoro-2-sulfopropanoic acid
CID 163721970
o-(Oxysulfinyl)isobutyric acid
CID 123234427
2-Methyl-2-sulfopropanoic acid
CID 285307
2-Methoxysulfinyl-2-methylpropanoic acid
CID 89575547
1-Hydroxy-2-methyl-1-oxopropane-2-sulfinate
CID 123234426
2-Methyl-2-methylsulfanylsulfonylpropanoic acid
CID 123728439
2-Ethoxysulfonyl-2-methylpropanoic acid
CID 154285643
2-(Chlorosulfonyl)-2-methylpropanoic acid
CID 55279799

Frequently Asked Questions

What is the IUPAC name of 2-fluorosulfonyl-2-methylpropanoic acid?
The IUPAC name of 2-fluorosulfonyl-2-methylpropanoic acid (CID 165452861) is 2-fluorosulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 2-fluorosulfonyl-2-methylpropanoic acid?
The canonical SMILES for 2-fluorosulfonyl-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)F.
What is the InChIKey of 2-fluorosulfonyl-2-methylpropanoic acid?
The InChIKey is YBZHHVLADBSLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-4(2,3(6)7)10(5,8)9/h1-2H3,(H,6,7).
What are the key properties of 2-fluorosulfonyl-2-methylpropanoic acid?
2-fluorosulfonyl-2-methylpropanoic acid has a molecular weight of 170.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorosulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 165452861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).