1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

C12H12FNO2 — CID 3042605

IUPAC1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2cccc(F)c2)C1=O
InChIInChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3
InChIKeyZUWFBBIMPISIPM-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.69
Rot. Bonds2

About 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 3042605) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID3042605
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2cccc(F)c2)C1=O
InChIInChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3
InChIKeyZUWFBBIMPISIPM-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (CID 3042605) is 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is CCN1C(=O)CC(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is ZUWFBBIMPISIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 221.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3042605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).