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

C10H16F6O9S2 — CID 10647529

IUPAC2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O9S2/c11-9(12,13)26(17,18)24-7-5-22-3-1-21-2-4-23-6-8-25-27(19,20)10(14,15)16/h1-8H2
InChIKeyIGSXEAFKAQFAPU-UHFFFAOYSA-N
MW458.35 g/mol
LogP0.77
Rot. Bonds14

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

2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 10647529) has the molecular formula C10H16F6O9S2 and a molecular weight of 458.35 g/mol. Its IUPAC name is 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
PubChem CID10647529
Molecular FormulaC10H16F6O9S2
Molecular Weight458.35 g/mol
Exact Mass458.01
IUPAC Name2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O9S2/c11-9(12,13)26(17,18)24-7-5-22-3-1-21-2-4-23-6-8-25-27(19,20)10(14,15)16/h1-8H2
InChIKeyIGSXEAFKAQFAPU-UHFFFAOYSA-N
XLogP0.77
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10839160
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-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate (CID 10647529) is 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is O=S(=O)(OCCOCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is IGSXEAFKAQFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O9S2/c11-9(12,13)26(17,18)24-7-5-22-3-1-21-2-4-23-6-8-25-27(19,20)10(14,15)16/h1-8H2.
What are the key properties of 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 458.35 g/mol, XLogP of 0.77, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 10647529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).