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

C16H28F6O12S2 — CID 10603491

IUPAC2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H28F6O12S2/c17-15(18,19)35(23,24)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-36(25,26)16(20,21)22/h1-14H2
InChIKeyIRWHDHFSQFCWJJ-UHFFFAOYSA-N
MW590.51 g/mol
LogP0.82
Rot. Bonds23

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

2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 10603491) has the molecular formula C16H28F6O12S2 and a molecular weight of 590.51 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
PubChem CID10603491
Molecular FormulaC16H28F6O12S2
Molecular Weight590.51 g/mol
Exact Mass590.09
IUPAC Name2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H28F6O12S2/c17-15(18,19)35(23,24)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-36(25,26)16(20,21)22/h1-14H2
InChIKeyIRWHDHFSQFCWJJ-UHFFFAOYSA-N
XLogP0.82
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.51
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (CID 10603491) is 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is O=S(=O)(OCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is IRWHDHFSQFCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F6O12S2/c17-15(18,19)35(23,24)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-36(25,26)16(20,21)22/h1-14H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 590.51 g/mol, XLogP of 0.82, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 10603491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).