1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione

C12H11F2NO2 — CID 138459968

IUPAC1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1c(F)ccc(CN2C(=O)CCC2=O)c1F
InChIInChI=1S/C12H11F2NO2/c1-7-9(13)3-2-8(12(7)14)6-15-10(16)4-5-11(15)17/h2-3H,4-6H2,1H3
InChIKeyFBQXUCGPTZDUSA-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.92
Rot. Bonds2

About 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione

1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 138459968) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID138459968
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1c(F)ccc(CN2C(=O)CCC2=O)c1F
InChIInChI=1S/C12H11F2NO2/c1-7-9(13)3-2-8(12(7)14)6-15-10(16)4-5-11(15)17/h2-3H,4-6H2,1H3
InChIKeyFBQXUCGPTZDUSA-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.92
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-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 138459968) is 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1c(F)ccc(CN2C(=O)CCC2=O)c1F.
What is the InChIKey of 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is FBQXUCGPTZDUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-7-9(13)3-2-8(12(7)14)6-15-10(16)4-5-11(15)17/h2-3H,4-6H2,1H3.
What are the key properties of 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 239.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluoro-3-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 138459968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).