fluoro 2-ethenoxyethanesulfonate

C4H7FO4S — CID 87852213

IUPACfluoro 2-ethenoxyethanesulfonate
SMILESC=COCCS(=O)(=O)OF
InChIInChI=1S/C4H7FO4S/c1-2-8-3-4-10(6,7)9-5/h2H,1,3-4H2
InChIKeyUODYGZNFOZNALS-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.38
Rot. Bonds5

About fluoro 2-ethenoxyethanesulfonate

fluoro 2-ethenoxyethanesulfonate (PubChem CID 87852213) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is fluoro 2-ethenoxyethanesulfonate.

Molecular Properties

Compound Namefluoro 2-ethenoxyethanesulfonate
PubChem CID87852213
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Namefluoro 2-ethenoxyethanesulfonate
SMILESC=COCCS(=O)(=O)OF
InChIInChI=1S/C4H7FO4S/c1-2-8-3-4-10(6,7)9-5/h2H,1,3-4H2
InChIKeyUODYGZNFOZNALS-UHFFFAOYSA-N
XLogP0.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethenylperoxyethanesulfonyl fluoride
CID 53890977
2-Ethenoxyethanesulfonyl fluoride
CID 54313803
2-(3-Ethenoxypropoxy)ethanesulfonyl fluoride
CID 56625295
2-(2-Ethoxyethenoxy)ethanesulfonyl fluoride
CID 140002257
Fluoro 2-(2-ethenoxyethoxy)ethanesulfonate
CID 140358390
2-(2-Fluorosulfonylethoxy)ethenyl hypofluorite
CID 140565056
2-(2-Fluorosulfonylethenoxy)ethenesulfonyl fluoride
CID 140617188
2-[2-[2-(2-Fluorosulfonylethoxy)ethenoxy]ethenoxy]ethanesulfonyl fluoride
CID 145777137
3-Ethenoxypropane-1-sulfonyl fluoride
CID 154634401
2-(1-Fluorosulfonylethoxy)ethenyl hypofluorite
CID 173024216
2-Ethenoxyethanesulfonic acid
CID 21496865
2-Ethenoxyethenyl propane-1-sulfonate
CID 57270398

Frequently Asked Questions

What is the IUPAC name of fluoro 2-ethenoxyethanesulfonate?
The IUPAC name of fluoro 2-ethenoxyethanesulfonate (CID 87852213) is fluoro 2-ethenoxyethanesulfonate.
What is the SMILES notation for fluoro 2-ethenoxyethanesulfonate?
The canonical SMILES for fluoro 2-ethenoxyethanesulfonate is C=COCCS(=O)(=O)OF.
What is the InChIKey of fluoro 2-ethenoxyethanesulfonate?
The InChIKey is UODYGZNFOZNALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-2-8-3-4-10(6,7)9-5/h2H,1,3-4H2.
What are the key properties of fluoro 2-ethenoxyethanesulfonate?
fluoro 2-ethenoxyethanesulfonate has a molecular weight of 170.16 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-ethenoxyethanesulfonate is sourced from PubChem (CID 87852213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).