1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione

C12H10FNO3 — CID 82116529

IUPAC1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c13-9-1-3-10(4-2-9)17-8-7-14-11(15)5-6-12(14)16/h1-6H,7-8H2
InChIKeyUFVSOJBQROTQBF-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione

1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione (PubChem CID 82116529) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
PubChem CID82116529
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c13-9-1-3-10(4-2-9)17-8-7-14-11(15)5-6-12(14)16/h1-6H,7-8H2
InChIKeyUFVSOJBQROTQBF-UHFFFAOYSA-N
XLogP1.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
CID 139985290
4-[4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]phenyl]benzonitrile
CID 100919085
(3aR,7aR)-2-[2-(4-fluorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124542832
3-[2-(4-fluorophenoxy)ethyl]-1,3-diazinane-2,4-dione
CID 72849188
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
1-[2-(4-fluorophenoxy)ethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7491794
1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
CID 82082756
1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione
CID 94266003
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione (CID 82116529) is 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is UFVSOJBQROTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-1-3-10(4-2-9)17-8-7-14-11(15)5-6-12(14)16/h1-6H,7-8H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione?
1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 235.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 82116529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).