2-(1-fluoroethenoxy)ethanesulfonyl fluoride

C4H6F2O3S — CID 88916265

IUPAC2-(1-fluoroethenoxy)ethanesulfonyl fluoride
SMILESC=C(F)OCCS(=O)(=O)F
InChIInChI=1S/C4H6F2O3S/c1-4(5)9-2-3-10(6,7)8/h1-3H2
InChIKeyHLZULXGUESHLCI-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.74
Rot. Bonds4

About 2-(1-fluoroethenoxy)ethanesulfonyl fluoride

2-(1-fluoroethenoxy)ethanesulfonyl fluoride (PubChem CID 88916265) has the molecular formula C4H6F2O3S and a molecular weight of 172.15 g/mol. Its IUPAC name is 2-(1-fluoroethenoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1-fluoroethenoxy)ethanesulfonyl fluoride
PubChem CID88916265
Molecular FormulaC4H6F2O3S
Molecular Weight172.15 g/mol
Exact Mass172.00
IUPAC Name2-(1-fluoroethenoxy)ethanesulfonyl fluoride
SMILESC=C(F)OCCS(=O)(=O)F
InChIInChI=1S/C4H6F2O3S/c1-4(5)9-2-3-10(6,7)8/h1-3H2
InChIKeyHLZULXGUESHLCI-UHFFFAOYSA-N
XLogP0.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoroethenoxy)ethanesulfonyl fluoride?
The IUPAC name of 2-(1-fluoroethenoxy)ethanesulfonyl fluoride (CID 88916265) is 2-(1-fluoroethenoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(1-fluoroethenoxy)ethanesulfonyl fluoride?
The canonical SMILES for 2-(1-fluoroethenoxy)ethanesulfonyl fluoride is C=C(F)OCCS(=O)(=O)F.
What is the InChIKey of 2-(1-fluoroethenoxy)ethanesulfonyl fluoride?
The InChIKey is HLZULXGUESHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3S/c1-4(5)9-2-3-10(6,7)8/h1-3H2.
What are the key properties of 2-(1-fluoroethenoxy)ethanesulfonyl fluoride?
2-(1-fluoroethenoxy)ethanesulfonyl fluoride has a molecular weight of 172.15 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethenoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 88916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).