2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride

C7H13FO4S — CID 154146734

IUPAC2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride
SMILESCCOCC(C)OC=CS(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-3-11-6-7(2)12-4-5-13(8,9)10/h4-5,7H,3,6H2,1-2H3
InChIKeyLJYHHPZHACZAIR-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.20
Rot. Bonds6

About 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride

2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride (PubChem CID 154146734) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride
PubChem CID154146734
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride
SMILESCCOCC(C)OC=CS(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-3-11-6-7(2)12-4-5-13(8,9)10/h4-5,7H,3,6H2,1-2H3
InChIKeyLJYHHPZHACZAIR-UHFFFAOYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride (CID 154146734) is 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride is CCOCC(C)OC=CS(=O)(=O)F.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride?
The InChIKey is LJYHHPZHACZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-3-11-6-7(2)12-4-5-13(8,9)10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride?
2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride has a molecular weight of 212.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)ethenesulfonyl fluoride is sourced from PubChem (CID 154146734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).