3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione

C11H9F2NO2 — CID 70971674

IUPAC3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C11H9F2NO2/c1-14-10(15)5-7(11(14)16)6-2-3-8(12)9(13)4-6/h2-4,7H,5H2,1H3
InChIKeyIWBNOFFUSAANHF-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.44
Rot. Bonds1

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

3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 70971674) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID70971674
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C11H9F2NO2/c1-14-10(15)5-7(11(14)16)6-2-3-8(12)9(13)4-6/h2-4,7H,5H2,1H3
InChIKeyIWBNOFFUSAANHF-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.44
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-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione (CID 70971674) is 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is IWBNOFFUSAANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-14-10(15)5-7(11(14)16)6-2-3-8(12)9(13)4-6/h2-4,7H,5H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione?
3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 225.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 70971674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).