2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite

C7H15FO3S — CID 145335639

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite
SMILESCOCCOCCOCCSF
InChIInChI=1S/C7H15FO3S/c1-9-2-3-10-4-5-11-6-7-12-8/h2-7H2,1H3
InChIKeyAYURQAIZARPEGQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.28
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite

2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite (PubChem CID 145335639) has the molecular formula C7H15FO3S and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite
PubChem CID145335639
Molecular FormulaC7H15FO3S
Molecular Weight198.26 g/mol
Exact Mass198.07
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite
SMILESCOCCOCCOCCSF
InChIInChI=1S/C7H15FO3S/c1-9-2-3-10-4-5-11-6-7-12-8/h2-7H2,1H3
InChIKeyAYURQAIZARPEGQ-UHFFFAOYSA-N
XLogP1.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.28
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-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite (CID 145335639) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite is COCCOCCOCCSF.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite?
The InChIKey is AYURQAIZARPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO3S/c1-9-2-3-10-4-5-11-6-7-12-8/h2-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite?
2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite has a molecular weight of 198.26 g/mol, XLogP of 1.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl thiohypofluorite is sourced from PubChem (CID 145335639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).