3-ethenoxypropane-1-sulfonyl fluoride

C5H9FO3S — CID 154634401

IUPAC3-ethenoxypropane-1-sulfonyl fluoride
SMILESC=COCCCS(=O)(=O)F
InChIInChI=1S/C5H9FO3S/c1-2-9-4-3-5-10(6,7)8/h2H,1,3-5H2
InChIKeyYMAPWVOHBWANGL-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.84
Rot. Bonds5

About 3-ethenoxypropane-1-sulfonyl fluoride

3-ethenoxypropane-1-sulfonyl fluoride (PubChem CID 154634401) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-ethenoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethenoxypropane-1-sulfonyl fluoride
PubChem CID154634401
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name3-ethenoxypropane-1-sulfonyl fluoride
SMILESC=COCCCS(=O)(=O)F
InChIInChI=1S/C5H9FO3S/c1-2-9-4-3-5-10(6,7)8/h2H,1,3-5H2
InChIKeyYMAPWVOHBWANGL-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxypropane-1-sulfonyl fluoride?
The IUPAC name of 3-ethenoxypropane-1-sulfonyl fluoride (CID 154634401) is 3-ethenoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-ethenoxypropane-1-sulfonyl fluoride?
The canonical SMILES for 3-ethenoxypropane-1-sulfonyl fluoride is C=COCCCS(=O)(=O)F.
What is the InChIKey of 3-ethenoxypropane-1-sulfonyl fluoride?
The InChIKey is YMAPWVOHBWANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-2-9-4-3-5-10(6,7)8/h2H,1,3-5H2.
What are the key properties of 3-ethenoxypropane-1-sulfonyl fluoride?
3-ethenoxypropane-1-sulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 154634401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).