1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione

C13H11F4NO2 — CID 162538047

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H11F4NO2/c1-12(2)6-10(19)18(11(12)20)7-3-4-9(14)8(5-7)13(15,16)17/h3-5H,6H2,1-2H3
InChIKeyBOGYBLMSKAQPQH-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.13
Rot. Bonds1

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 162538047) has the molecular formula C13H11F4NO2 and a molecular weight of 289.23 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID162538047
Molecular FormulaC13H11F4NO2
Molecular Weight289.23 g/mol
Exact Mass289.07
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H11F4NO2/c1-12(2)6-10(19)18(11(12)20)7-3-4-9(14)8(5-7)13(15,16)17/h3-5H,6H2,1-2H3
InChIKeyBOGYBLMSKAQPQH-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.13
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-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 162538047) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is BOGYBLMSKAQPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO2/c1-12(2)6-10(19)18(11(12)20)7-3-4-9(14)8(5-7)13(15,16)17/h3-5H,6H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 289.23 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 162538047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).