2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride

C7H13FO4S — CID 20572408

IUPAC2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride
SMILESC=COCC(C)OCCS(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-3-11-6-7(2)12-4-5-13(8,9)10/h3,7H,1,4-6H2,2H3
InChIKeyTUFKHKZLBZWCAW-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.85
Rot. Bonds7

About 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride

2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride (PubChem CID 20572408) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride
PubChem CID20572408
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride
SMILESC=COCC(C)OCCS(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-3-11-6-7(2)12-4-5-13(8,9)10/h3,7H,1,4-6H2,2H3
InChIKeyTUFKHKZLBZWCAW-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
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-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride?
The IUPAC name of 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride (CID 20572408) is 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride?
The canonical SMILES for 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride is C=COCC(C)OCCS(=O)(=O)F.
What is the InChIKey of 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride?
The InChIKey is TUFKHKZLBZWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-3-11-6-7(2)12-4-5-13(8,9)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride?
2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride has a molecular weight of 212.24 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxypropan-2-yloxy)ethanesulfonyl fluoride is sourced from PubChem (CID 20572408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).