1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H16FNO3 — CID 64787672

IUPAC1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(O)cc2F)C1=O
InChIInChI=1S/C14H16FNO3/c1-8(2)14(3)7-12(18)16(13(14)19)11-5-4-9(17)6-10(11)15/h4-6,8,17H,7H2,1-3H3
InChIKeyJSIWNZXZOGOLME-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 64787672) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID64787672
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(O)cc2F)C1=O
InChIInChI=1S/C14H16FNO3/c1-8(2)14(3)7-12(18)16(13(14)19)11-5-4-9(17)6-10(11)15/h4-6,8,17H,7H2,1-3H3
InChIKeyJSIWNZXZOGOLME-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.46
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-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 64787672) is 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(c2ccc(O)cc2F)C1=O.
What is the InChIKey of 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JSIWNZXZOGOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8(2)14(3)7-12(18)16(13(14)19)11-5-4-9(17)6-10(11)15/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2-fluoro-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 265.28 g/mol, XLogP of 2.46, 2 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-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 64787672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).