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

C10H13F3N2O5 — CID 68636016

IUPAC1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N2O3.C2HF3O2/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;3-2(4,5)1(6)7/h1-2H,3-6,9H2;(H,6,7)
InChIKeyUJHVUJSQURGBAO-UHFFFAOYSA-N
MW298.22 g/mol
LogP-0.48
Rot. Bonds5

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

1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 68636016) has the molecular formula C10H13F3N2O5 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID68636016
Molecular FormulaC10H13F3N2O5
Molecular Weight298.22 g/mol
Exact Mass298.08
IUPAC Name1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N2O3.C2HF3O2/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;3-2(4,5)1(6)7/h1-2H,3-6,9H2;(H,6,7)
InChIKeyUJHVUJSQURGBAO-UHFFFAOYSA-N
XLogP-0.48
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (CID 68636016) is 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is NCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is UJHVUJSQURGBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.C2HF3O2/c9-3-5-13-6-4-10-7(11)1-2-8(10)12;3-2(4,5)1(6)7/h1-2H,3-6,9H2;(H,6,7).
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 298.22 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68636016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).