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

C16H25F3N2O8 — CID 154734277

IUPAC1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCOCCOCCOCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N2O6.C2HF3O2/c15-3-5-19-7-9-21-11-12-22-10-8-20-6-4-16-13(17)1-2-14(16)18;3-2(4,5)1(6)7/h1-2H,3-12,15H2;(H,6,7)
InChIKeyVZGVXVADGJIXQP-UHFFFAOYSA-N
MW430.38 g/mol
LogP-0.43
Rot. Bonds14

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

1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 154734277) has the molecular formula C16H25F3N2O8 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID154734277
Molecular FormulaC16H25F3N2O8
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCOCCOCCOCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N2O6.C2HF3O2/c15-3-5-19-7-9-21-11-12-22-10-8-20-6-4-16-13(17)1-2-14(16)18;3-2(4,5)1(6)7/h1-2H,3-12,15H2;(H,6,7)
InChIKeyVZGVXVADGJIXQP-UHFFFAOYSA-N
XLogP-0.43
TPSA137.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (CID 154734277) is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is NCCOCCOCCOCCOCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is VZGVXVADGJIXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6.C2HF3O2/c15-3-5-19-7-9-21-11-12-22-10-8-20-6-4-16-13(17)1-2-14(16)18;3-2(4,5)1(6)7/h1-2H,3-12,15H2;(H,6,7).
What are the key properties of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 430.38 g/mol, XLogP of -0.43, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154734277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).