(2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate

C6H10F3NO5 — CID 134894517

IUPAC(2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate
SMILESCCOC(=O)C[NH2+]O.O=C([O-])C(F)(F)F
InChIInChI=1S/C4H9NO3.C2HF3O2/c1-2-8-4(6)3-5-7;3-2(4,5)1(6)7/h5,7H,2-3H2,1H3;(H,6,7)
InChIKeySJSRPFAKHZGOFE-UHFFFAOYSA-N
MW233.14 g/mol
LogP-2.20
Rot. Bonds3

About (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate

(2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate (PubChem CID 134894517) has the molecular formula C6H10F3NO5 and a molecular weight of 233.14 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate
PubChem CID134894517
Molecular FormulaC6H10F3NO5
Molecular Weight233.14 g/mol
Exact Mass233.05
IUPAC Name(2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate
SMILESCCOC(=O)C[NH2+]O.O=C([O-])C(F)(F)F
InChIInChI=1S/C4H9NO3.C2HF3O2/c1-2-8-4(6)3-5-7;3-2(4,5)1(6)7/h5,7H,2-3H2,1H3;(H,6,7)
InChIKeySJSRPFAKHZGOFE-UHFFFAOYSA-N
XLogP-2.20
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate 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-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate?
The IUPAC name of (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate (CID 134894517) is (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate is CCOC(=O)C[NH2+]O.O=C([O-])C(F)(F)F.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate?
The InChIKey is SJSRPFAKHZGOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C2HF3O2/c1-2-8-4(6)3-5-7;3-2(4,5)1(6)7/h5,7H,2-3H2,1H3;(H,6,7).
What are the key properties of (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate?
(2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate has a molecular weight of 233.14 g/mol, XLogP of -2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-hydroxyazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 134894517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).