2-methoxyethyl trifluoromethanesulfonate

C4H7F3O4S — CID 22273493

IUPAC2-methoxyethyl trifluoromethanesulfonate
SMILESCOCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O4S/c1-10-2-3-11-12(8,9)4(5,6)7/h2-3H2,1H3
InChIKeyXCVDRKJGVQKLMR-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.50
Rot. Bonds4

About 2-methoxyethyl trifluoromethanesulfonate

2-methoxyethyl trifluoromethanesulfonate (PubChem CID 22273493) has the molecular formula C4H7F3O4S and a molecular weight of 208.16 g/mol. Its IUPAC name is 2-methoxyethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-methoxyethyl trifluoromethanesulfonate
PubChem CID22273493
Molecular FormulaC4H7F3O4S
Molecular Weight208.16 g/mol
Exact Mass208.00
IUPAC Name2-methoxyethyl trifluoromethanesulfonate
SMILESCOCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O4S/c1-10-2-3-11-12(8,9)4(5,6)7/h2-3H2,1H3
InChIKeyXCVDRKJGVQKLMR-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-Ethoxyethyl triflate
CID 16050164
2-(Methanesulfonyloxy)ethyl trifluoromethoxy ether
CID 18464558
2-Methanesulfonyloxyethyl 2,2,2-trifluorethyl ether
CID 18673718
[2,2-Difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethyl] trifluoromethanesulfonate
CID 18995392
2-Methoxyethoxy trifluoromethanesulfonate
CID 19010437
2-[2-(Difluoromethoxy)ethoxy]ethyl methanesulfonate
CID 19828982
Triethyloxidanium;trifluoromethanesulfonate
CID 21687948
2-(Trifluoromethoxy)ethyl methanesulfonate
CID 53942428
[1,2,2-Trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
CID 57024501
Difluoro-[1,1,2-trifluoro-1-(fluoromethoxy)propan-2-yl]oxymethanesulfonate
CID 57540363
Ethoxy(difluoro)methanesulfonate
CID 57752239

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl trifluoromethanesulfonate?
The IUPAC name of 2-methoxyethyl trifluoromethanesulfonate (CID 22273493) is 2-methoxyethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-methoxyethyl trifluoromethanesulfonate?
The canonical SMILES for 2-methoxyethyl trifluoromethanesulfonate is COCCOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methoxyethyl trifluoromethanesulfonate?
The InChIKey is XCVDRKJGVQKLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O4S/c1-10-2-3-11-12(8,9)4(5,6)7/h2-3H2,1H3.
What are the key properties of 2-methoxyethyl trifluoromethanesulfonate?
2-methoxyethyl trifluoromethanesulfonate has a molecular weight of 208.16 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl trifluoromethanesulfonate is sourced from PubChem (CID 22273493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).