methyl 2-fluoro-2-fluorosulfonylacetate

C3H4F2O4S — CID 12779300

IUPACmethyl 2-fluoro-2-fluorosulfonylacetate
SMILESCOC(=O)C(F)S(=O)(=O)F
InChIInChI=1S/C3H4F2O4S/c1-9-3(6)2(4)10(5,7)8/h2H,1H3
InChIKeyYQYNNKWOAHYTHO-UHFFFAOYSA-N
MW174.12 g/mol
LogP-0.25
Rot. Bonds2

About methyl 2-fluoro-2-fluorosulfonylacetate

methyl 2-fluoro-2-fluorosulfonylacetate (PubChem CID 12779300) has the molecular formula C3H4F2O4S and a molecular weight of 174.12 g/mol. Its IUPAC name is methyl 2-fluoro-2-fluorosulfonylacetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-fluorosulfonylacetate
PubChem CID12779300
Molecular FormulaC3H4F2O4S
Molecular Weight174.12 g/mol
Exact Mass173.98
IUPAC Namemethyl 2-fluoro-2-fluorosulfonylacetate
SMILESCOC(=O)C(F)S(=O)(=O)F
InChIInChI=1S/C3H4F2O4S/c1-9-3(6)2(4)10(5,7)8/h2H,1H3
InChIKeyYQYNNKWOAHYTHO-UHFFFAOYSA-N
XLogP-0.25
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-fluorosulfonylacetate?
The IUPAC name of methyl 2-fluoro-2-fluorosulfonylacetate (CID 12779300) is methyl 2-fluoro-2-fluorosulfonylacetate.
What is the SMILES notation for methyl 2-fluoro-2-fluorosulfonylacetate?
The canonical SMILES for methyl 2-fluoro-2-fluorosulfonylacetate is COC(=O)C(F)S(=O)(=O)F.
What is the InChIKey of methyl 2-fluoro-2-fluorosulfonylacetate?
The InChIKey is YQYNNKWOAHYTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O4S/c1-9-3(6)2(4)10(5,7)8/h2H,1H3.
What are the key properties of methyl 2-fluoro-2-fluorosulfonylacetate?
methyl 2-fluoro-2-fluorosulfonylacetate has a molecular weight of 174.12 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-fluorosulfonylacetate is sourced from PubChem (CID 12779300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).