2-methoxyethoxy trifluoromethanesulfonate

C4H7F3O5S — CID 19010437

IUPAC2-methoxyethoxy trifluoromethanesulfonate
SMILESCOCCOOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O5S/c1-10-2-3-11-12-13(8,9)4(5,6)7/h2-3H2,1H3
InChIKeyBZNFLAMCZSFPIC-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.43
Rot. Bonds5

About 2-methoxyethoxy trifluoromethanesulfonate

2-methoxyethoxy trifluoromethanesulfonate (PubChem CID 19010437) has the molecular formula C4H7F3O5S and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-methoxyethoxy trifluoromethanesulfonate.

Molecular Properties

Compound Name2-methoxyethoxy trifluoromethanesulfonate
PubChem CID19010437
Molecular FormulaC4H7F3O5S
Molecular Weight224.16 g/mol
Exact Mass224.00
IUPAC Name2-methoxyethoxy trifluoromethanesulfonate
SMILESCOCCOOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O5S/c1-10-2-3-11-12-13(8,9)4(5,6)7/h2-3H2,1H3
InChIKeyBZNFLAMCZSFPIC-UHFFFAOYSA-N
XLogP0.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethoxy)ethyl trifluoromethanesulfonate
CID 10635181
2-Ethoxyethyl triflate
CID 16050164
2-(Methanesulfonyloxy)ethyl trifluoromethoxy ether
CID 18464558
2-Methanesulfonyloxyethyl 2,2,2-trifluorethyl ether
CID 18673718
Ethoxy trifluoromethanesulfonate
CID 19001125
2-[2-(Difluoromethoxy)ethoxy]ethyl methanesulfonate
CID 19828982
2-Methoxyethyl trifluoromethanesulfonate
CID 22273493
2-(Trifluoromethoxy)ethyl methanesulfonate
CID 53942428
Ethoxy(difluoro)methanesulfonate
CID 57752239
(1,1,2,2-Tetradeuterio-2-methoxyethyl) trifluoromethanesulfonate
CID 87757421
[1,1,2,2-Tetrafluoro-2-[2-(2-methoxyethoxy)ethoxy]ethoxy] trifluoromethanesulfonate
CID 88320338
2-(2-Methoxyethoxy)ethyl trifluoromethanesulfonate
CID 104246176

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxy trifluoromethanesulfonate?
The IUPAC name of 2-methoxyethoxy trifluoromethanesulfonate (CID 19010437) is 2-methoxyethoxy trifluoromethanesulfonate.
What is the SMILES notation for 2-methoxyethoxy trifluoromethanesulfonate?
The canonical SMILES for 2-methoxyethoxy trifluoromethanesulfonate is COCCOOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methoxyethoxy trifluoromethanesulfonate?
The InChIKey is BZNFLAMCZSFPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O5S/c1-10-2-3-11-12-13(8,9)4(5,6)7/h2-3H2,1H3.
What are the key properties of 2-methoxyethoxy trifluoromethanesulfonate?
2-methoxyethoxy trifluoromethanesulfonate has a molecular weight of 224.16 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxy trifluoromethanesulfonate is sourced from PubChem (CID 19010437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).