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

C12H20F6O10S2 — CID 10839160

IUPAC2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O10S2/c13-11(14,15)29(19,20)27-9-7-25-5-3-23-1-2-24-4-6-26-8-10-28-30(21,22)12(16,17)18/h1-10H2
InChIKeyZEUUZEAHQLHCNR-UHFFFAOYSA-N
MW502.40 g/mol
LogP0.79
Rot. Bonds17

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

2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 10839160) has the molecular formula C12H20F6O10S2 and a molecular weight of 502.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
PubChem CID10839160
Molecular FormulaC12H20F6O10S2
Molecular Weight502.40 g/mol
Exact Mass502.04
IUPAC Name2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O10S2/c13-11(14,15)29(19,20)27-9-7-25-5-3-23-1-2-24-4-6-26-8-10-28-30(21,22)12(16,17)18/h1-10H2
InChIKeyZEUUZEAHQLHCNR-UHFFFAOYSA-N
XLogP0.79
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.40
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Related Compounds

2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10621697
2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10647529
2-[2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10816385
Sodium;1,4,7,10,13-pentaoxacyclopentadecane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
CID 12539716
[2-[2-[1,1-Difluoro-2-(trifluoromethylsulfonyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] trifluoromethanesulfonate
CID 44234113
aquo(1,4,7,10,13,16-hexaoxacyclooctadecane)-bis(trifluoromethanesulfonate)calcium(II)
CID 139159096
2-(2-(2-(Pentafluoroethoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)ethyl methane sulfonate
CID 21225292
Lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
CID 23717802
[1,2,2-Trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
CID 57024501
3-[3-[3-(Trifluoromethylsulfonyloxy)propoxy]propoxy]propyl trifluoromethanesulfonate
CID 59340448
[2-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy]-1-(trifluoromethylsulfonyloxy)ethyl] trifluoromethanesulfonate
CID 87803830
[2-(2-Ethoxyethoxy)-1-(trifluoromethylsulfonyloxy)ethyl] trifluoromethanesulfonate
CID 87804409

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (CID 10839160) is 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is O=S(=O)(OCCOCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is ZEUUZEAHQLHCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O10S2/c13-11(14,15)29(19,20)27-9-7-25-5-3-23-1-2-24-4-6-26-8-10-28-30(21,22)12(16,17)18/h1-10H2.
What are the key properties of 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 502.40 g/mol, XLogP of 0.79, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 10839160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).