1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite

C6H10F2O4S — CID 22992998

IUPAC1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite
SMILESC=C(OF)OCCCCS(=O)(=O)F
InChIInChI=1S/C6H10F2O4S/c1-6(12-7)11-4-2-3-5-13(8,9)10/h1-5H2
InChIKeyWEZGIYNIKSEGQU-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.45
Rot. Bonds7

About 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite

1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite (PubChem CID 22992998) has the molecular formula C6H10F2O4S and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite.

Molecular Properties

Compound Name1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite
PubChem CID22992998
Molecular FormulaC6H10F2O4S
Molecular Weight216.20 g/mol
Exact Mass216.03
IUPAC Name1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite
SMILESC=C(OF)OCCCCS(=O)(=O)F
InChIInChI=1S/C6H10F2O4S/c1-6(12-7)11-4-2-3-5-13(8,9)10/h1-5H2
InChIKeyWEZGIYNIKSEGQU-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite?
The IUPAC name of 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite (CID 22992998) is 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite.
What is the SMILES notation for 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite?
The canonical SMILES for 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite is C=C(OF)OCCCCS(=O)(=O)F.
What is the InChIKey of 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite?
The InChIKey is WEZGIYNIKSEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O4S/c1-6(12-7)11-4-2-3-5-13(8,9)10/h1-5H2.
What are the key properties of 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite?
1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite has a molecular weight of 216.20 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorosulfonylbutoxy)ethenyl hypofluorite is sourced from PubChem (CID 22992998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).