3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione

C14H14F3NO2 — CID 71977050

IUPAC3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2ccccc2C(F)(F)F)C(=O)C1C
InChIInChI=1S/C14H14F3NO2/c1-8-9(2)13(20)18(12(8)19)7-10-5-3-4-6-11(10)14(15,16)17/h3-6,8-9H,7H2,1-2H3
InChIKeyWRRRWJPCPLZELZ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.85
Rot. Bonds2

About 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 71977050) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID71977050
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2ccccc2C(F)(F)F)C(=O)C1C
InChIInChI=1S/C14H14F3NO2/c1-8-9(2)13(20)18(12(8)19)7-10-5-3-4-6-11(10)14(15,16)17/h3-6,8-9H,7H2,1-2H3
InChIKeyWRRRWJPCPLZELZ-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.85
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 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione (CID 71977050) is 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione is CC1C(=O)N(Cc2ccccc2C(F)(F)F)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is WRRRWJPCPLZELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-8-9(2)13(20)18(12(8)19)7-10-5-3-4-6-11(10)14(15,16)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 285.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71977050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).