1,2-dimethoxyethane;trifluoromethanesulfonic acid

C5H11F3O5S — CID 146403878

IUPAC1,2-dimethoxyethane;trifluoromethanesulfonic acid
SMILESCOCCOC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H10O2.CHF3O3S/c1-5-3-4-6-2;2-1(3,4)8(5,6)7/h3-4H2,1-2H3;(H,5,6,7)
InChIKeyTWZGYYFWYZWYRR-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.67
Rot. Bonds3

About 1,2-dimethoxyethane;trifluoromethanesulfonic acid

1,2-dimethoxyethane;trifluoromethanesulfonic acid (PubChem CID 146403878) has the molecular formula C5H11F3O5S and a molecular weight of 240.20 g/mol. Its IUPAC name is 1,2-dimethoxyethane;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1,2-dimethoxyethane;trifluoromethanesulfonic acid
PubChem CID146403878
Molecular FormulaC5H11F3O5S
Molecular Weight240.20 g/mol
Exact Mass240.03
IUPAC Name1,2-dimethoxyethane;trifluoromethanesulfonic acid
SMILESCOCCOC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C4H10O2.CHF3O3S/c1-5-3-4-6-2;2-1(3,4)8(5,6)7/h3-4H2,1-2H3;(H,5,6,7)
InChIKeyTWZGYYFWYZWYRR-UHFFFAOYSA-N
XLogP0.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,2-dimethoxyethane;trifluoromethanesulfonic acid?
The IUPAC name of 1,2-dimethoxyethane;trifluoromethanesulfonic acid (CID 146403878) is 1,2-dimethoxyethane;trifluoromethanesulfonic acid.
What is the SMILES notation for 1,2-dimethoxyethane;trifluoromethanesulfonic acid?
The canonical SMILES for 1,2-dimethoxyethane;trifluoromethanesulfonic acid is COCCOC.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 1,2-dimethoxyethane;trifluoromethanesulfonic acid?
The InChIKey is TWZGYYFWYZWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.CHF3O3S/c1-5-3-4-6-2;2-1(3,4)8(5,6)7/h3-4H2,1-2H3;(H,5,6,7).
What are the key properties of 1,2-dimethoxyethane;trifluoromethanesulfonic acid?
1,2-dimethoxyethane;trifluoromethanesulfonic acid has a molecular weight of 240.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;trifluoromethanesulfonic acid is sourced from PubChem (CID 146403878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).