4-fluorosulfonylbutanoic acid

C4H7FO4S — CID 170913372

IUPAC4-fluorosulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKeyCHUJOTPYMOXWCV-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.15
Rot. Bonds4

About 4-fluorosulfonylbutanoic acid

4-fluorosulfonylbutanoic acid (PubChem CID 170913372) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-fluorosulfonylbutanoic acid.

Molecular Properties

Compound Name4-fluorosulfonylbutanoic acid
PubChem CID170913372
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Name4-fluorosulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKeyCHUJOTPYMOXWCV-UHFFFAOYSA-N
XLogP0.15
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

4-Sulfobutanoic acid
CID 21206169
3-(Fluorosulfonyl)propanoic acid
CID 166746869
3-(Fluorosulfonyl)-2-methylpropanoic acid
CID 167722623
Fluorosulfonyldiacetic acid
CID 129808278
Butansaure Sulfonsaure
CID 423755
4-Fluorooxy-4-oxo-3-sulfobutanoic acid
CID 22367977
2-Fluorosulfonylpropanoic acid
CID 132647838
Fluoro 2-fluorosulfonylbutanoate
CID 175254478
4-(Fluoromethylsulfonyl)butanoic acid
CID 84718827
3-Sulfobutanoic acid
CID 316238
1-Hydroxy-1-oxobutane-2-sulfonate
CID 4595738
4-Hydroxy-4-oxobutane-2-sulfinate
CID 13227332

Frequently Asked Questions

What is the IUPAC name of 4-fluorosulfonylbutanoic acid?
The IUPAC name of 4-fluorosulfonylbutanoic acid (CID 170913372) is 4-fluorosulfonylbutanoic acid.
What is the SMILES notation for 4-fluorosulfonylbutanoic acid?
The canonical SMILES for 4-fluorosulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)F.
What is the InChIKey of 4-fluorosulfonylbutanoic acid?
The InChIKey is CHUJOTPYMOXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7).
What are the key properties of 4-fluorosulfonylbutanoic acid?
4-fluorosulfonylbutanoic acid has a molecular weight of 170.16 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorosulfonylbutanoic acid is sourced from PubChem (CID 170913372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).