3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride

C7H14F2O4S — CID 172768497

IUPAC3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride
SMILESC=COCCC(OCC)S(=O)(=O)F.F
InChIInChI=1S/C7H13FO4S.FH/c1-3-11-6-5-7(12-4-2)13(8,9)10;/h3,7H,1,4-6H2,2H3;1H
InChIKeyMQFJCGLNUVCUIP-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.35
Rot. Bonds7

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

3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride (PubChem CID 172768497) has the molecular formula C7H14F2O4S and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride.

Molecular Properties

Compound Name3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride
PubChem CID172768497
Molecular FormulaC7H14F2O4S
Molecular Weight232.25 g/mol
Exact Mass232.06
IUPAC Name3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride
SMILESC=COCCC(OCC)S(=O)(=O)F.F
InChIInChI=1S/C7H13FO4S.FH/c1-3-11-6-5-7(12-4-2)13(8,9)10;/h3,7H,1,4-6H2,2H3;1H
InChIKeyMQFJCGLNUVCUIP-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.35
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;hydrofluoride?
The IUPAC name of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride (CID 172768497) is 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride.
What is the SMILES notation for 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride?
The canonical SMILES for 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride is C=COCCC(OCC)S(=O)(=O)F.F.
What is the InChIKey of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride?
The InChIKey is MQFJCGLNUVCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S.FH/c1-3-11-6-5-7(12-4-2)13(8,9)10;/h3,7H,1,4-6H2,2H3;1H.
What are the key properties of 3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride?
3-ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride has a molecular weight of 232.25 g/mol, XLogP of 1.35, 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;hydrofluoride is sourced from PubChem (CID 172768497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).