1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione

C12H12FNO3 — CID 103500910

IUPAC1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(O)c(F)c2)C(=O)C1C
InChIInChI=1S/C12H12FNO3/c1-6-7(2)12(17)14(11(6)16)8-3-4-10(15)9(13)5-8/h3-7,15H,1-2H3
InChIKeyUVGXLTKZXIMQSS-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.68
Rot. Bonds1

About 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103500910) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103500910
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(O)c(F)c2)C(=O)C1C
InChIInChI=1S/C12H12FNO3/c1-6-7(2)12(17)14(11(6)16)8-3-4-10(15)9(13)5-8/h3-7,15H,1-2H3
InChIKeyUVGXLTKZXIMQSS-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103500910) is 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2ccc(O)c(F)c2)C(=O)C1C.
What is the InChIKey of 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is UVGXLTKZXIMQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-6-7(2)12(17)14(11(6)16)8-3-4-10(15)9(13)5-8/h3-7,15H,1-2H3.
What are the key properties of 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 237.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103500910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).