2-ethenoxyethanesulfonyl fluoride

C4H7FO3S — CID 54313803

IUPAC2-ethenoxyethanesulfonyl fluoride
SMILESC=COCCS(=O)(=O)F
InChIInChI=1S/C4H7FO3S/c1-2-8-3-4-9(5,6)7/h2H,1,3-4H2
InChIKeySVQOKUWDNBOKFD-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.45
Rot. Bonds4

About 2-ethenoxyethanesulfonyl fluoride

2-ethenoxyethanesulfonyl fluoride (PubChem CID 54313803) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-ethenoxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-ethenoxyethanesulfonyl fluoride
PubChem CID54313803
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name2-ethenoxyethanesulfonyl fluoride
SMILESC=COCCS(=O)(=O)F
InChIInChI=1S/C4H7FO3S/c1-2-8-3-4-9(5,6)7/h2H,1,3-4H2
InChIKeySVQOKUWDNBOKFD-UHFFFAOYSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-Ethenoxypropoxy)ethanesulfonyl fluoride
CID 56625295
1-Ethenoxy-2,2,2-trifluoroethanesulfonyl fluoride
CID 57583535
Ethenoxymethanesulfonyl fluoride
CID 57583537
Fluoro 2-ethenoxyethanesulfonate
CID 87852213
2-(1-Fluoroethenoxy)ethanesulfonyl fluoride
CID 88916265
(E)-2-methoxyethene-1-sulfonyl fluoride
CID 137963873
2-(2-Ethoxyethenoxy)ethanesulfonyl fluoride
CID 140002257
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
4-Ethenoxybutane-1-sulfonyl fluoride
CID 151614121

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethanesulfonyl fluoride?
The IUPAC name of 2-ethenoxyethanesulfonyl fluoride (CID 54313803) is 2-ethenoxyethanesulfonyl fluoride.
What is the SMILES notation for 2-ethenoxyethanesulfonyl fluoride?
The canonical SMILES for 2-ethenoxyethanesulfonyl fluoride is C=COCCS(=O)(=O)F.
What is the InChIKey of 2-ethenoxyethanesulfonyl fluoride?
The InChIKey is SVQOKUWDNBOKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3S/c1-2-8-3-4-9(5,6)7/h2H,1,3-4H2.
What are the key properties of 2-ethenoxyethanesulfonyl fluoride?
2-ethenoxyethanesulfonyl fluoride has a molecular weight of 154.16 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethanesulfonyl fluoride is sourced from PubChem (CID 54313803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).