3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride

C7H13FO4S — CID 123796506

IUPAC3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride
SMILESC=COCCC(OCC)S(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-3-11-6-5-7(12-4-2)13(8,9)10/h3,7H,1,4-6H2,2H3
InChIKeyPXMHXMMHFHXYNL-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.20
Rot. Bonds7

About 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride

3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride (PubChem CID 123796506) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride
PubChem CID123796506
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride
SMILESC=COCCC(OCC)S(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-3-11-6-5-7(12-4-2)13(8,9)10/h3,7H,1,4-6H2,2H3
InChIKeyPXMHXMMHFHXYNL-UHFFFAOYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride?
The IUPAC name of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride (CID 123796506) is 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride?
The canonical SMILES for 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride is C=COCCC(OCC)S(=O)(=O)F.
What is the InChIKey of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride?
The InChIKey is PXMHXMMHFHXYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-3-11-6-5-7(12-4-2)13(8,9)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride?
3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride has a molecular weight of 212.24 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 123796506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).