methyl 4-fluorosulfonylbutanoate

C5H9FO4S — CID 122236107

IUPACmethyl 4-fluorosulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)F
InChIInChI=1S/C5H9FO4S/c1-10-5(7)3-2-4-11(6,8)9/h2-4H2,1H3
InChIKeyLCACPBUWMRLCRG-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.24
Rot. Bonds4

About methyl 4-fluorosulfonylbutanoate

methyl 4-fluorosulfonylbutanoate (PubChem CID 122236107) has the molecular formula C5H9FO4S and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 4-fluorosulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-fluorosulfonylbutanoate
PubChem CID122236107
Molecular FormulaC5H9FO4S
Molecular Weight184.19 g/mol
Exact Mass184.02
IUPAC Namemethyl 4-fluorosulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)F
InChIInChI=1S/C5H9FO4S/c1-10-5(7)3-2-4-11(6,8)9/h2-4H2,1H3
InChIKeyLCACPBUWMRLCRG-UHFFFAOYSA-N
XLogP0.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluorosulfonylbutanoate?
The IUPAC name of methyl 4-fluorosulfonylbutanoate (CID 122236107) is methyl 4-fluorosulfonylbutanoate.
What is the SMILES notation for methyl 4-fluorosulfonylbutanoate?
The canonical SMILES for methyl 4-fluorosulfonylbutanoate is COC(=O)CCCS(=O)(=O)F.
What is the InChIKey of methyl 4-fluorosulfonylbutanoate?
The InChIKey is LCACPBUWMRLCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO4S/c1-10-5(7)3-2-4-11(6,8)9/h2-4H2,1H3.
What are the key properties of methyl 4-fluorosulfonylbutanoate?
methyl 4-fluorosulfonylbutanoate has a molecular weight of 184.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluorosulfonylbutanoate is sourced from PubChem (CID 122236107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).