3-ethoxypropane-1-sulfonyl fluoride

C5H11FO3S — CID 88593484

IUPAC3-ethoxypropane-1-sulfonyl fluoride
SMILESCCOCCCS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-2-9-4-3-5-10(6,7)8/h2-5H2,1H3
InChIKeyIZNOLPRQOAYCCV-UHFFFAOYSA-N
MW170.20 g/mol
LogP0.71
Rot. Bonds5

About 3-ethoxypropane-1-sulfonyl fluoride

3-ethoxypropane-1-sulfonyl fluoride (PubChem CID 88593484) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 3-ethoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethoxypropane-1-sulfonyl fluoride
PubChem CID88593484
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name3-ethoxypropane-1-sulfonyl fluoride
SMILESCCOCCCS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-2-9-4-3-5-10(6,7)8/h2-5H2,1H3
InChIKeyIZNOLPRQOAYCCV-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropane-1-sulfonyl fluoride?
The IUPAC name of 3-ethoxypropane-1-sulfonyl fluoride (CID 88593484) is 3-ethoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-ethoxypropane-1-sulfonyl fluoride?
The canonical SMILES for 3-ethoxypropane-1-sulfonyl fluoride is CCOCCCS(=O)(=O)F.
What is the InChIKey of 3-ethoxypropane-1-sulfonyl fluoride?
The InChIKey is IZNOLPRQOAYCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c1-2-9-4-3-5-10(6,7)8/h2-5H2,1H3.
What are the key properties of 3-ethoxypropane-1-sulfonyl fluoride?
3-ethoxypropane-1-sulfonyl fluoride has a molecular weight of 170.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 88593484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).