2-ethoxyethanesulfonyl fluoride

C4H9FO3S — CID 18951512

IUPAC2-ethoxyethanesulfonyl fluoride
SMILESCCOCCS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
InChIKeyIIVZXQVRRWKFIY-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.32
Rot. Bonds4

About 2-ethoxyethanesulfonyl fluoride

2-ethoxyethanesulfonyl fluoride (PubChem CID 18951512) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethoxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-ethoxyethanesulfonyl fluoride
PubChem CID18951512
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name2-ethoxyethanesulfonyl fluoride
SMILESCCOCCS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
InChIKeyIIVZXQVRRWKFIY-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanesulfonyl fluoride?
The IUPAC name of 2-ethoxyethanesulfonyl fluoride (CID 18951512) is 2-ethoxyethanesulfonyl fluoride.
What is the SMILES notation for 2-ethoxyethanesulfonyl fluoride?
The canonical SMILES for 2-ethoxyethanesulfonyl fluoride is CCOCCS(=O)(=O)F.
What is the InChIKey of 2-ethoxyethanesulfonyl fluoride?
The InChIKey is IIVZXQVRRWKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3.
What are the key properties of 2-ethoxyethanesulfonyl fluoride?
2-ethoxyethanesulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanesulfonyl fluoride is sourced from PubChem (CID 18951512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).