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

C8H12F6O8S2 — CID 10621697

IUPAC2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O8S2/c9-7(10,11)23(15,16)21-5-3-19-1-2-20-4-6-22-24(17,18)8(12,13)14/h1-6H2
InChIKeyMCLPSQRULXPUAS-UHFFFAOYSA-N
MW414.30 g/mol
LogP0.75
Rot. Bonds11

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

2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 10621697) has the molecular formula C8H12F6O8S2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
PubChem CID10621697
Molecular FormulaC8H12F6O8S2
Molecular Weight414.30 g/mol
Exact Mass413.99
IUPAC Name2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O8S2/c9-7(10,11)23(15,16)21-5-3-19-1-2-20-4-6-22-24(17,18)8(12,13)14/h1-6H2
InChIKeyMCLPSQRULXPUAS-UHFFFAOYSA-N
XLogP0.75
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10647529
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-Difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethyl] trifluoromethanesulfonate
CID 18995449
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
[2-(2-Butoxyethoxy)-1,2,2-trifluoroethyl] trifluoromethanesulfonate
CID 54056594
[2-(2-Butoxyethoxy)-2,2-difluoroethyl] trifluoromethanesulfonate
CID 54368246
[1,2,2-Trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
CID 57024501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate (CID 10621697) is 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate is O=S(=O)(OCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is MCLPSQRULXPUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O8S2/c9-7(10,11)23(15,16)21-5-3-19-1-2-20-4-6-22-24(17,18)8(12,13)14/h1-6H2.
What are the key properties of 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate?
2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 414.30 g/mol, XLogP of 0.75, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 10621697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).