lithium;1,2-dimethoxyethane;trifluoromethanesulfonate

C5H10F3LiO5S — CID 166680349

IUPAClithium;1,2-dimethoxyethane;trifluoromethanesulfonate
SMILESCOCCOC.O=S(=O)([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C4H10O2.CHF3O3S.Li/c1-5-3-4-6-2;2-1(3,4)8(5,6)7;/h3-4H2,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyWVNWKCXHDKIHLE-UHFFFAOYSA-M
MW246.13 g/mol
LogP-2.67
Rot. Bonds3

About lithium;1,2-dimethoxyethane;trifluoromethanesulfonate

lithium;1,2-dimethoxyethane;trifluoromethanesulfonate (PubChem CID 166680349) has the molecular formula C5H10F3LiO5S and a molecular weight of 246.13 g/mol. Its IUPAC name is lithium;1,2-dimethoxyethane;trifluoromethanesulfonate.

Molecular Properties

Compound Namelithium;1,2-dimethoxyethane;trifluoromethanesulfonate
PubChem CID166680349
Molecular FormulaC5H10F3LiO5S
Molecular Weight246.13 g/mol
Exact Mass246.04
IUPAC Namelithium;1,2-dimethoxyethane;trifluoromethanesulfonate
SMILESCOCCOC.O=S(=O)([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C4H10O2.CHF3O3S.Li/c1-5-3-4-6-2;2-1(3,4)8(5,6)7;/h3-4H2,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyWVNWKCXHDKIHLE-UHFFFAOYSA-M
XLogP-2.67
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 5-2.67
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_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;1,2-dimethoxyethane;trifluoromethanesulfonate?
The IUPAC name of lithium;1,2-dimethoxyethane;trifluoromethanesulfonate (CID 166680349) is lithium;1,2-dimethoxyethane;trifluoromethanesulfonate.
What is the SMILES notation for lithium;1,2-dimethoxyethane;trifluoromethanesulfonate?
The canonical SMILES for lithium;1,2-dimethoxyethane;trifluoromethanesulfonate is COCCOC.O=S(=O)([O-])C(F)(F)F.[Li+].
What is the InChIKey of lithium;1,2-dimethoxyethane;trifluoromethanesulfonate?
The InChIKey is WVNWKCXHDKIHLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2.CHF3O3S.Li/c1-5-3-4-6-2;2-1(3,4)8(5,6)7;/h3-4H2,1-2H3;(H,5,6,7);/q;;+1/p-1.
What are the key properties of lithium;1,2-dimethoxyethane;trifluoromethanesulfonate?
lithium;1,2-dimethoxyethane;trifluoromethanesulfonate has a molecular weight of 246.13 g/mol, XLogP of -2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,2-dimethoxyethane;trifluoromethanesulfonate is sourced from PubChem (CID 166680349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).