methyl 3-fluorosulfonylpropanoate

C4H7FO4S — CID 59739027

IUPACmethyl 3-fluorosulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChIKeyALGLDWYOBOXXKT-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.15
Rot. Bonds3

About methyl 3-fluorosulfonylpropanoate

methyl 3-fluorosulfonylpropanoate (PubChem CID 59739027) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl 3-fluorosulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-fluorosulfonylpropanoate
PubChem CID59739027
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Namemethyl 3-fluorosulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChIKeyALGLDWYOBOXXKT-UHFFFAOYSA-N
XLogP-0.15
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-fluorosulfonylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorosulfonylpropanoate?
The IUPAC name of methyl 3-fluorosulfonylpropanoate (CID 59739027) is methyl 3-fluorosulfonylpropanoate.
What is the SMILES notation for methyl 3-fluorosulfonylpropanoate?
The canonical SMILES for methyl 3-fluorosulfonylpropanoate is COC(=O)CCS(=O)(=O)F.
What is the InChIKey of methyl 3-fluorosulfonylpropanoate?
The InChIKey is ALGLDWYOBOXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3.
What are the key properties of methyl 3-fluorosulfonylpropanoate?
methyl 3-fluorosulfonylpropanoate has a molecular weight of 170.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorosulfonylpropanoate is sourced from PubChem (CID 59739027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).