4-(fluoromethylsulfonyl)butanoic acid

C5H9FO4S — CID 84718827

IUPAC4-(fluoromethylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)CF
InChIInChI=1S/C5H9FO4S/c6-4-11(9,10)3-1-2-5(7)8/h1-4H2,(H,7,8)
InChIKeyAVBLCQGIQNCDFB-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.19
Rot. Bonds5

About 4-(fluoromethylsulfonyl)butanoic acid

4-(fluoromethylsulfonyl)butanoic acid (PubChem CID 84718827) has the molecular formula C5H9FO4S and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(fluoromethylsulfonyl)butanoic acid.

Molecular Properties

Compound Name4-(fluoromethylsulfonyl)butanoic acid
PubChem CID84718827
Molecular FormulaC5H9FO4S
Molecular Weight184.19 g/mol
Exact Mass184.02
IUPAC Name4-(fluoromethylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)CF
InChIInChI=1S/C5H9FO4S/c6-4-11(9,10)3-1-2-5(7)8/h1-4H2,(H,7,8)
InChIKeyAVBLCQGIQNCDFB-UHFFFAOYSA-N
XLogP0.19
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3'-Sulfonylbis(propanoic acid)
CID 80512
3-(Butylsulphonyl)-propanoic acid
CID 4290313
3-(Methylsulfonyl)propanoic acid
CID 120308
4-Sulfobutanoic acid
CID 21206169
2-(Propane-1-sulfonyl)propanoic acid
CID 24701506
4-Methanesulfonylbutanoic acid
CID 17866982
2-(Methylsulfonyl)propanoic acid
CID 19085957
3-Trifluoromethanesulfonylpropanoic acid
CID 22376723
4-(Ethylsulfonyl)butanoic acid
CID 43444434
3-(Propylsulfonyl)propanoic Acid
CID 24711440
4-(Methylsulfinyl)butanoic acid
CID 312377
FT-sulfone; C6H9F3O4S
CID 64555244

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonyl)butanoic acid?
The IUPAC name of 4-(fluoromethylsulfonyl)butanoic acid (CID 84718827) is 4-(fluoromethylsulfonyl)butanoic acid.
What is the SMILES notation for 4-(fluoromethylsulfonyl)butanoic acid?
The canonical SMILES for 4-(fluoromethylsulfonyl)butanoic acid is O=C(O)CCCS(=O)(=O)CF.
What is the InChIKey of 4-(fluoromethylsulfonyl)butanoic acid?
The InChIKey is AVBLCQGIQNCDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO4S/c6-4-11(9,10)3-1-2-5(7)8/h1-4H2,(H,7,8).
What are the key properties of 4-(fluoromethylsulfonyl)butanoic acid?
4-(fluoromethylsulfonyl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonyl)butanoic acid is sourced from PubChem (CID 84718827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).