2-methoxyethylazanium;trifluoromethanesulfonate

C4H10F3NO4S — CID 141412875

IUPAC2-methoxyethylazanium;trifluoromethanesulfonate
SMILESCOCC[NH3+].O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C3H9NO.CHF3O3S/c1-5-3-2-4;2-1(3,4)8(5,6)7/h2-4H2,1H3;(H,5,6,7)
InChIKeySKTRXWKXHWMOJV-UHFFFAOYSA-N
MW225.19 g/mol
LogP-1.07
Rot. Bonds2

About 2-methoxyethylazanium;trifluoromethanesulfonate

2-methoxyethylazanium;trifluoromethanesulfonate (PubChem CID 141412875) has the molecular formula C4H10F3NO4S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-methoxyethylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Name2-methoxyethylazanium;trifluoromethanesulfonate
PubChem CID141412875
Molecular FormulaC4H10F3NO4S
Molecular Weight225.19 g/mol
Exact Mass225.03
IUPAC Name2-methoxyethylazanium;trifluoromethanesulfonate
SMILESCOCC[NH3+].O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C3H9NO.CHF3O3S/c1-5-3-2-4;2-1(3,4)8(5,6)7/h2-4H2,1H3;(H,5,6,7)
InChIKeySKTRXWKXHWMOJV-UHFFFAOYSA-N
XLogP-1.07
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-methoxyethylazanium;trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylazanium;trifluoromethanesulfonate?
The IUPAC name of 2-methoxyethylazanium;trifluoromethanesulfonate (CID 141412875) is 2-methoxyethylazanium;trifluoromethanesulfonate.
What is the SMILES notation for 2-methoxyethylazanium;trifluoromethanesulfonate?
The canonical SMILES for 2-methoxyethylazanium;trifluoromethanesulfonate is COCC[NH3+].O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of 2-methoxyethylazanium;trifluoromethanesulfonate?
The InChIKey is SKTRXWKXHWMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.CHF3O3S/c1-5-3-2-4;2-1(3,4)8(5,6)7/h2-4H2,1H3;(H,5,6,7).
What are the key properties of 2-methoxyethylazanium;trifluoromethanesulfonate?
2-methoxyethylazanium;trifluoromethanesulfonate has a molecular weight of 225.19 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 141412875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).