N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide

C10H11F3N2O4 — CID 90452288

IUPACN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)9(18)14-3-5-19-6-4-15-7(16)1-2-8(15)17/h1-2H,3-6H2,(H,14,18)
InChIKeyJQXSJEAUHVGRRH-UHFFFAOYSA-N
MW280.20 g/mol
LogP-0.39
Rot. Bonds6

About N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 90452288) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide
PubChem CID90452288
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)9(18)14-3-5-19-6-4-15-7(16)1-2-8(15)17/h1-2H,3-6H2,(H,14,18)
InChIKeyJQXSJEAUHVGRRH-UHFFFAOYSA-N
XLogP-0.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide (CID 90452288) is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide is O=C1C=CC(=O)N1CCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is JQXSJEAUHVGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c11-10(12,13)9(18)14-3-5-19-6-4-15-7(16)1-2-8(15)17/h1-2H,3-6H2,(H,14,18).
What are the key properties of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 280.20 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90452288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).