fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate

C10H12FNO6 — CID 143929192

IUPACfluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate
SMILESO=C(COCCOCCN1C(=O)C=CC1=O)OF
InChIInChI=1S/C10H12FNO6/c11-18-10(15)7-17-6-5-16-4-3-12-8(13)1-2-9(12)14/h1-2H,3-7H2
InChIKeyPKPJIHOOELCEGF-UHFFFAOYSA-N
MW261.20 g/mol
LogP-0.63
Rot. Bonds8

About fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate

fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate (PubChem CID 143929192) has the molecular formula C10H12FNO6 and a molecular weight of 261.20 g/mol. Its IUPAC name is fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namefluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate
PubChem CID143929192
Molecular FormulaC10H12FNO6
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Namefluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate
SMILESO=C(COCCOCCN1C(=O)C=CC1=O)OF
InChIInChI=1S/C10H12FNO6/c11-18-10(15)7-17-6-5-16-4-3-12-8(13)1-2-9(12)14/h1-2H,3-7H2
InChIKeyPKPJIHOOELCEGF-UHFFFAOYSA-N
XLogP-0.63
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
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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Related Compounds

Ethyl maleimidoacetate
CID 6539156
1-[2-(2-methoxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 15667717
{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}acetic acid
CID 10466938
2-(2,5-Dioxopyrrol-1-yl)ethyl 2,2,2-trifluoroacetate
CID 57895406
3-Fluoropropyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 58788039
1-[2-[2-(2-Fluoroethoxy)ethoxy]ethyl]pyrrole-2,5-dione
CID 140237174
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl acetate
CID 11446725
2-Methoxyethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 17857404
2-(2,5-Dioxopyrrol-1-yl)ethyl 2-ethoxyethyl carbonate
CID 18718362
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-YL)ethyl acrylate
CID 18718363
2-[2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate
CID 19880621
2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate
CID 19880625

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate?
The IUPAC name of fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate (CID 143929192) is fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate.
What is the SMILES notation for fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate?
The canonical SMILES for fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate is O=C(COCCOCCN1C(=O)C=CC1=O)OF.
What is the InChIKey of fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate?
The InChIKey is PKPJIHOOELCEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO6/c11-18-10(15)7-17-6-5-16-4-3-12-8(13)1-2-9(12)14/h1-2H,3-7H2.
What are the key properties of fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate?
fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate has a molecular weight of 261.20 g/mol, XLogP of -0.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate is sourced from PubChem (CID 143929192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).