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

C8H15F3O6S — CID 106509996

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate
SMILESCOCCOCCOCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3O6S/c1-14-2-3-15-4-5-16-6-7-17-18(12,13)8(9,10)11/h2-7H2,1H3
InChIKeyXGDFFWKFBVJEDP-UHFFFAOYSA-N
MW296.26 g/mol
LogP0.53
Rot. Bonds10

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

2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 106509996) has the molecular formula C8H15F3O6S and a molecular weight of 296.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate
PubChem CID106509996
Molecular FormulaC8H15F3O6S
Molecular Weight296.26 g/mol
Exact Mass296.05
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate
SMILESCOCCOCCOCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3O6S/c1-14-2-3-15-4-5-16-6-7-17-18(12,13)8(9,10)11/h2-7H2,1H3
InChIKeyXGDFFWKFBVJEDP-UHFFFAOYSA-N
XLogP0.53
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate (CID 106509996) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate is COCCOCCOCCOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is XGDFFWKFBVJEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O6S/c1-14-2-3-15-4-5-16-6-7-17-18(12,13)8(9,10)11/h2-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 296.26 g/mol, XLogP of 0.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 106509996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).