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

C6H8F6O5S — CID 10494826

IUPAC2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O5S/c7-5(8,9)16-3-1-15-2-4-17-18(13,14)6(10,11)12/h1-4H2
InChIKeyQFLUYAHEKAYVJZ-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.41
Rot. Bonds7

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

2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate (PubChem CID 10494826) has the molecular formula C6H8F6O5S and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate
PubChem CID10494826
Molecular FormulaC6H8F6O5S
Molecular Weight306.18 g/mol
Exact Mass306.00
IUPAC Name2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate
SMILESO=S(=O)(OCCOCCOC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O5S/c7-5(8,9)16-3-1-15-2-4-17-18(13,14)6(10,11)12/h1-4H2
InChIKeyQFLUYAHEKAYVJZ-UHFFFAOYSA-N
XLogP1.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(trifluoromethoxy)propyl trifluoromethanesulfonate
CID 75406356
2-propoxyethyl trifluoromethanesulfonate
CID 106509992
2-(2-phenylethoxy)ethyl trifluoromethanesulfonate
CID 86626735
4-(2-methoxyethoxy)butyl trifluoromethanesulfonate
CID 139845363
2-[2-[2-[2-[2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87962510
2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
CID 118166069
3-aminopropyl trifluoromethanesulfonate
CID 129180621
2-[6-(4-chlorophenyl)hexoxy]ethyl trifluoromethanesulfonate
CID 57235190
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422
2-[trifluoromethylsulfonyl-[2-(trifluoromethylsulfonyloxy)ethyl]amino]ethyl trifluoromethanesulfonate
CID 11081630
(4-bromo-3,3,4,4-tetrafluorobutyl) trifluoromethanesulfonate
CID 98463151
5-bromopentyl trifluoromethanesulfonate
CID 24975322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate (CID 10494826) is 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate is O=S(=O)(OCCOCCOC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate?
The InChIKey is QFLUYAHEKAYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O5S/c7-5(8,9)16-3-1-15-2-4-17-18(13,14)6(10,11)12/h1-4H2.
What are the key properties of 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate?
2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate has a molecular weight of 306.18 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)ethoxy]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 10494826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).