2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine

C6H13F9O3S2 — CID 91382920

IUPAC2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine
SMILESCCOCCS(=O)(=O)CCSF.FF.FF.FF.FF
InChIInChI=1S/C6H13FO3S2.4F2/c1-2-10-3-5-12(8,9)6-4-11-7;4*1-2/h2-6H2,1H3;;;;
InChIKeyQYEIOMPEMMAAAR-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.42
Rot. Bonds7

About 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine

2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine (PubChem CID 91382920) has the molecular formula C6H13F9O3S2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine
PubChem CID91382920
Molecular FormulaC6H13F9O3S2
Molecular Weight368.28 g/mol
Exact Mass368.02
IUPAC Name2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine
SMILESCCOCCS(=O)(=O)CCSF.FF.FF.FF.FF
InChIInChI=1S/C6H13FO3S2.4F2/c1-2-10-3-5-12(8,9)6-4-11-7;4*1-2/h2-6H2,1H3;;;;
InChIKeyQYEIOMPEMMAAAR-UHFFFAOYSA-N
XLogP4.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine?
The IUPAC name of 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine (CID 91382920) is 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine.
What is the SMILES notation for 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine?
The canonical SMILES for 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine is CCOCCS(=O)(=O)CCSF.FF.FF.FF.FF.
What is the InChIKey of 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine?
The InChIKey is QYEIOMPEMMAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S2.4F2/c1-2-10-3-5-12(8,9)6-4-11-7;4*1-2/h2-6H2,1H3;;;;.
What are the key properties of 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine?
2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine has a molecular weight of 368.28 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonyl)ethyl thiohypofluorite;molecular fluorine is sourced from PubChem (CID 91382920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).