3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione

C12H12FNO2 — CID 70971687

IUPAC3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCc1ccc(C2CC(=O)N(C)C2=O)cc1F
InChIInChI=1S/C12H12FNO2/c1-7-3-4-8(5-10(7)13)9-6-11(15)14(2)12(9)16/h3-5,9H,6H2,1-2H3
InChIKeyQCLQSXNLLFRNNM-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.61
Rot. Bonds1

About 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione

3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 70971687) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID70971687
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCc1ccc(C2CC(=O)N(C)C2=O)cc1F
InChIInChI=1S/C12H12FNO2/c1-7-3-4-8(5-10(7)13)9-6-11(15)14(2)12(9)16/h3-5,9H,6H2,1-2H3
InChIKeyQCLQSXNLLFRNNM-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.61
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 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione (CID 70971687) is 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione is Cc1ccc(C2CC(=O)N(C)C2=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is QCLQSXNLLFRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7-3-4-8(5-10(7)13)9-6-11(15)14(2)12(9)16/h3-5,9H,6H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione?
3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 221.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 70971687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).