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

C12H12FNO3 — CID 65297726

IUPAC1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc(O)cc2F)C1=O
InChIInChI=1S/C12H12FNO3/c1-12(2)6-10(16)14(11(12)17)9-4-3-7(15)5-8(9)13/h3-5,15H,6H2,1-2H3
InChIKeyFRIXPPFLHAAURI-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.82
Rot. Bonds1

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

1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65297726) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65297726
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc(O)cc2F)C1=O
InChIInChI=1S/C12H12FNO3/c1-12(2)6-10(16)14(11(12)17)9-4-3-7(15)5-8(9)13/h3-5,15H,6H2,1-2H3
InChIKeyFRIXPPFLHAAURI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 65297726) is 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(c2ccc(O)cc2F)C1=O.
What is the InChIKey of 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is FRIXPPFLHAAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-12(2)6-10(16)14(11(12)17)9-4-3-7(15)5-8(9)13/h3-5,15H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 237.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxyphenyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65297726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).