2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride

C5H9FO4S — CID 163658272

IUPAC2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCOCC1CO1
InChIInChI=1S/C5H9FO4S/c6-11(7,8)2-1-9-3-5-4-10-5/h5H,1-4H2
InChIKeyISDBQINARLSQSG-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.30
Rot. Bonds5

About 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride

2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride (PubChem CID 163658272) has the molecular formula C5H9FO4S and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride
PubChem CID163658272
Molecular FormulaC5H9FO4S
Molecular Weight184.19 g/mol
Exact Mass184.02
IUPAC Name2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCOCC1CO1
InChIInChI=1S/C5H9FO4S/c6-11(7,8)2-1-9-3-5-4-10-5/h5H,1-4H2
InChIKeyISDBQINARLSQSG-UHFFFAOYSA-N
XLogP-0.30
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride?
The IUPAC name of 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride (CID 163658272) is 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride is O=S(=O)(F)CCOCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride?
The InChIKey is ISDBQINARLSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO4S/c6-11(7,8)2-1-9-3-5-4-10-5/h5H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride?
2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride has a molecular weight of 184.19 g/mol, XLogP of -0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 163658272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).