methyl 2-fluorosulfonylpropanoate

C4H7FO4S — CID 165452562

IUPACmethyl 2-fluorosulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c1-3(4(6)9-2)10(5,7)8/h3H,1-2H3
InChIKeyJEMGWRFCWFBATO-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.15
Rot. Bonds2

About methyl 2-fluorosulfonylpropanoate

methyl 2-fluorosulfonylpropanoate (PubChem CID 165452562) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl 2-fluorosulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-fluorosulfonylpropanoate
PubChem CID165452562
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Namemethyl 2-fluorosulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)F
InChIInChI=1S/C4H7FO4S/c1-3(4(6)9-2)10(5,7)8/h3H,1-2H3
InChIKeyJEMGWRFCWFBATO-UHFFFAOYSA-N
XLogP-0.15
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluorosulfonylpropanoate?
The IUPAC name of methyl 2-fluorosulfonylpropanoate (CID 165452562) is methyl 2-fluorosulfonylpropanoate.
What is the SMILES notation for methyl 2-fluorosulfonylpropanoate?
The canonical SMILES for methyl 2-fluorosulfonylpropanoate is COC(=O)C(C)S(=O)(=O)F.
What is the InChIKey of methyl 2-fluorosulfonylpropanoate?
The InChIKey is JEMGWRFCWFBATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-3(4(6)9-2)10(5,7)8/h3H,1-2H3.
What are the key properties of methyl 2-fluorosulfonylpropanoate?
methyl 2-fluorosulfonylpropanoate has a molecular weight of 170.16 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluorosulfonylpropanoate is sourced from PubChem (CID 165452562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).