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

C12H15F3N2O5 — CID 164764333

IUPACN-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O5/c13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h1-2H,3-8H2,(H,16,20)
InChIKeyIQQJEGNOMIURSY-UHFFFAOYSA-N
MW324.25 g/mol
LogP-0.38
Rot. Bonds9

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

N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 164764333) has the molecular formula C12H15F3N2O5 and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
PubChem CID164764333
Molecular FormulaC12H15F3N2O5
Molecular Weight324.25 g/mol
Exact Mass324.09
IUPAC NameN-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O5/c13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h1-2H,3-8H2,(H,16,20)
InChIKeyIQQJEGNOMIURSY-UHFFFAOYSA-N
XLogP-0.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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 N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide (CID 164764333) is N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide is O=C1C=CC(=O)N1CCOCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is IQQJEGNOMIURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O5/c13-12(14,15)11(20)16-3-5-21-7-8-22-6-4-17-9(18)1-2-10(17)19/h1-2H,3-8H2,(H,16,20).
What are the key properties of N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 324.25 g/mol, XLogP of -0.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 164764333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).