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

C10H7F2NO2 — CID 79515218

IUPAC1-(3,5-difluorophenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C10H7F2NO2/c11-6-1-7(12)3-8(2-6)13-5-9(14)4-10(13)15/h1-3H,4-5H2
InChIKeyFFQLCHBTTAMJBQ-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.27
Rot. Bonds1

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

1-(3,5-difluorophenyl)pyrrolidine-2,4-dione (PubChem CID 79515218) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)pyrrolidine-2,4-dione
PubChem CID79515218
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name1-(3,5-difluorophenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C10H7F2NO2/c11-6-1-7(12)3-8(2-6)13-5-9(14)4-10(13)15/h1-3H,4-5H2
InChIKeyFFQLCHBTTAMJBQ-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,5-trifluorophenyl)pyrrolidine-2,4-dione
CID 79517883
1-(3-bromo-5-methylphenyl)pyrrolidine-2,4-dione
CID 107583735
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
5-amino-2-(3,5-difluorophenyl)-4H-pyrazol-3-one
CID 122714168
1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidine-2,4-dione
CID 79517290
4-(3,5-difluorophenyl)-5H-1,4-benzoxazepin-3-one
CID 53335526
1-[4-(dimethylamino)phenyl]pyrrolidine-2,4-dione
CID 79516096
1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
CID 79516762
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
4-(3,5-difluorophenyl)morpholine-2,6-dione
CID 63779033
1-(3,5-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502729
(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
CID 59593460

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione (CID 79515218) is 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione?
The InChIKey is FFQLCHBTTAMJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c11-6-1-7(12)3-8(2-6)13-5-9(14)4-10(13)15/h1-3H,4-5H2.
What are the key properties of 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione?
1-(3,5-difluorophenyl)pyrrolidine-2,4-dione has a molecular weight of 211.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79515218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).