1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione

C12H10F3NO2 — CID 79515562

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)10-4-2-1-3-8(10)6-16-7-9(17)5-11(16)18/h1-4H,5-7H2
InChIKeyFSSJCOZXSCQFLU-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.01
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione (PubChem CID 79515562) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione
PubChem CID79515562
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)10-4-2-1-3-8(10)6-16-7-9(17)5-11(16)18/h1-4H,5-7H2
InChIKeyFSSJCOZXSCQFLU-UHFFFAOYSA-N
XLogP2.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione (CID 79515562) is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione is O=C1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione?
The InChIKey is FSSJCOZXSCQFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)10-4-2-1-3-8(10)6-16-7-9(17)5-11(16)18/h1-4H,5-7H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione?
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione has a molecular weight of 257.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 79515562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).