1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

C12H17F3N2O6 — CID 71311614

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCOCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N2O4.C2HF3O2/c11-3-5-15-7-8-16-6-4-12-9(13)1-2-10(12)14;3-2(4,5)1(6)7/h1-2H,3-8,11H2;(H,6,7)
InChIKeyWAOHORIEWBUISG-UHFFFAOYSA-N
MW342.27 g/mol
LogP-0.46
Rot. Bonds8

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 71311614) has the molecular formula C12H17F3N2O6 and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID71311614
Molecular FormulaC12H17F3N2O6
Molecular Weight342.27 g/mol
Exact Mass342.10
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCOCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N2O4.C2HF3O2/c11-3-5-15-7-8-16-6-4-12-9(13)1-2-10(12)14;3-2(4,5)1(6)7/h1-2H,3-8,11H2;(H,6,7)
InChIKeyWAOHORIEWBUISG-UHFFFAOYSA-N
XLogP-0.46
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (CID 71311614) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is NCCOCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is WAOHORIEWBUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.C2HF3O2/c11-3-5-15-7-8-16-6-4-12-9(13)1-2-10(12)14;3-2(4,5)1(6)7/h1-2H,3-8,11H2;(H,6,7).
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 342.27 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71311614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).