[1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate

C8H12F6O6S — CID 57024501

IUPAC[1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
SMILESCOCCOCCOC(F)(F)C(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F6O6S/c1-17-2-3-18-4-5-19-7(10,11)6(9)20-21(15,16)8(12,13)14/h6H,2-5H2,1H3
InChIKeyYCZCDSPZZGACIK-UHFFFAOYSA-N
MW350.23 g/mol
LogP1.42
Rot. Bonds10

About [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate

[1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate (PubChem CID 57024501) has the molecular formula C8H12F6O6S and a molecular weight of 350.23 g/mol. Its IUPAC name is [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
PubChem CID57024501
Molecular FormulaC8H12F6O6S
Molecular Weight350.23 g/mol
Exact Mass350.03
IUPAC Name[1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
SMILESCOCCOCCOC(F)(F)C(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F6O6S/c1-17-2-3-18-4-5-19-7(10,11)6(9)20-21(15,16)8(12,13)14/h6H,2-5H2,1H3
InChIKeyYCZCDSPZZGACIK-UHFFFAOYSA-N
XLogP1.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(Trifluoromethoxy)ethyl trifluoromethanesulfonate
CID 10635181
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-(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
[2-[2-[1,1-Difluoro-2-(trifluoromethylsulfonyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] trifluoromethanesulfonate
CID 44234113
2-Ethoxyethyl triflate
CID 16050164
2-Methanesulfonyloxyethyl 2,2,2-trifluorethyl ether
CID 18673718
[2,2-Difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethyl] trifluoromethanesulfonate
CID 18995392
2-(2-Butoxyethoxy)ethoxy trifluoromethanesulfonate
CID 18995421
[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-(Difluoromethoxy)ethoxy]ethyl methanesulfonate
CID 19828982

Frequently Asked Questions

What is the IUPAC name of [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate?
The IUPAC name of [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate (CID 57024501) is [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate.
What is the SMILES notation for [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate?
The canonical SMILES for [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate is COCCOCCOC(F)(F)C(F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate?
The InChIKey is YCZCDSPZZGACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O6S/c1-17-2-3-18-4-5-19-7(10,11)6(9)20-21(15,16)8(12,13)14/h6H,2-5H2,1H3.
What are the key properties of [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate?
[1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate has a molecular weight of 350.23 g/mol, XLogP of 1.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,2-trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate is sourced from PubChem (CID 57024501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).