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

C14H24F6O11S2 — CID 10816385

IUPAC2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H24F6O11S2/c15-13(16,17)32(21,22)30-11-9-28-7-5-26-3-1-25-2-4-27-6-8-29-10-12-31-33(23,24)14(18,19)20/h1-12H2
InChIKeyWWALYLXLSNJTHH-UHFFFAOYSA-N
MW546.46 g/mol
LogP0.80
Rot. Bonds20

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

2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 10816385) has the molecular formula C14H24F6O11S2 and a molecular weight of 546.46 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
PubChem CID10816385
Molecular FormulaC14H24F6O11S2
Molecular Weight546.46 g/mol
Exact Mass546.07
IUPAC Name2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H24F6O11S2/c15-13(16,17)32(21,22)30-11-9-28-7-5-26-3-1-25-2-4-27-6-8-29-10-12-31-33(23,24)14(18,19)20/h1-12H2
InChIKeyWWALYLXLSNJTHH-UHFFFAOYSA-N
XLogP0.80
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.46
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (CID 10816385) is 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is O=S(=O)(OCCOCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is WWALYLXLSNJTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6O11S2/c15-13(16,17)32(21,22)30-11-9-28-7-5-26-3-1-25-2-4-27-6-8-29-10-12-31-33(23,24)14(18,19)20/h1-12H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 546.46 g/mol, XLogP of 0.80, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 10816385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).