4-ethenoxybutane-1-sulfonyl fluoride

C6H11FO3S — CID 151614121

IUPAC4-ethenoxybutane-1-sulfonyl fluoride
SMILESC=COCCCCS(=O)(=O)F
InChIInChI=1S/C6H11FO3S/c1-2-10-5-3-4-6-11(7,8)9/h2H,1,3-6H2
InChIKeyQNCZMLLIOWEJPK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.23
Rot. Bonds6

About 4-ethenoxybutane-1-sulfonyl fluoride

4-ethenoxybutane-1-sulfonyl fluoride (PubChem CID 151614121) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-ethenoxybutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-ethenoxybutane-1-sulfonyl fluoride
PubChem CID151614121
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name4-ethenoxybutane-1-sulfonyl fluoride
SMILESC=COCCCCS(=O)(=O)F
InChIInChI=1S/C6H11FO3S/c1-2-10-5-3-4-6-11(7,8)9/h2H,1,3-6H2
InChIKeyQNCZMLLIOWEJPK-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.23
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-Ethenoxyethanesulfonyl fluoride
CID 54313803
2-(3-Ethenoxypropoxy)ethanesulfonyl fluoride
CID 56625295
4-(1-Fluoroethenoxy)butane-1-sulfonyl fluoride
CID 89137534
3-Ethenoxy-1-ethoxypropane-1-sulfonyl fluoride
CID 123796506
2-(2-Ethoxyethenoxy)ethanesulfonyl fluoride
CID 140002257
2-(2-Fluorosulfonylethoxy)ethenyl hypofluorite
CID 140565056
3-Ethenoxypropane-1-sulfonyl fluoride
CID 154634401
2-Ethenoxyethenyl propane-1-sulfonate
CID 57270398
Potassium 3-ethenoxypropane-1-sulfonate
CID 58689616
Sodium 3-ethenoxypropane-1-sulfonate
CID 58689638
4-Ethenoxybutane-1-sulfonic acid
CID 150942304
3-Ethenoxypropane-1-sulfonyl chloride
CID 154337319

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybutane-1-sulfonyl fluoride?
The IUPAC name of 4-ethenoxybutane-1-sulfonyl fluoride (CID 151614121) is 4-ethenoxybutane-1-sulfonyl fluoride.
What is the SMILES notation for 4-ethenoxybutane-1-sulfonyl fluoride?
The canonical SMILES for 4-ethenoxybutane-1-sulfonyl fluoride is C=COCCCCS(=O)(=O)F.
What is the InChIKey of 4-ethenoxybutane-1-sulfonyl fluoride?
The InChIKey is QNCZMLLIOWEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-2-10-5-3-4-6-11(7,8)9/h2H,1,3-6H2.
What are the key properties of 4-ethenoxybutane-1-sulfonyl fluoride?
4-ethenoxybutane-1-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybutane-1-sulfonyl fluoride is sourced from PubChem (CID 151614121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).