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

C14H16FNO3 — CID 64781862

IUPAC3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(O)c(F)c2)C1=O
InChIInChI=1S/C14H16FNO3/c1-3-14(4-2)8-12(18)16(13(14)19)9-5-6-11(17)10(15)7-9/h5-7,17H,3-4,8H2,1-2H3
InChIKeyYBIRTJXKPJGLRJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.60
Rot. Bonds3

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

3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione (PubChem CID 64781862) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione
PubChem CID64781862
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(O)c(F)c2)C1=O
InChIInChI=1S/C14H16FNO3/c1-3-14(4-2)8-12(18)16(13(14)19)9-5-6-11(17)10(15)7-9/h5-7,17H,3-4,8H2,1-2H3
InChIKeyYBIRTJXKPJGLRJ-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.60
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 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione (CID 64781862) is 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccc(O)c(F)c2)C1=O.
What is the InChIKey of 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is YBIRTJXKPJGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-3-14(4-2)8-12(18)16(13(14)19)9-5-6-11(17)10(15)7-9/h5-7,17H,3-4,8H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione?
3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 265.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 64781862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).