3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione

C11H9ClFNO2 — CID 43155382

IUPAC3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccc(F)c(Cl)c2)CC(=O)NC1=O
InChIInChI=1S/C11H9ClFNO2/c1-11(5-9(15)14-10(11)16)6-2-3-8(13)7(12)4-6/h2-4H,5H2,1H3,(H,14,15,16)
InChIKeyARTWGXXDEWZZAU-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.78
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione

3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 43155382) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID43155382
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccc(F)c(Cl)c2)CC(=O)NC1=O
InChIInChI=1S/C11H9ClFNO2/c1-11(5-9(15)14-10(11)16)6-2-3-8(13)7(12)4-6/h2-4H,5H2,1H3,(H,14,15,16)
InChIKeyARTWGXXDEWZZAU-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione (CID 43155382) is 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione is CC1(c2ccc(F)c(Cl)c2)CC(=O)NC1=O.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is ARTWGXXDEWZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-11(5-9(15)14-10(11)16)6-2-3-8(13)7(12)4-6/h2-4H,5H2,1H3,(H,14,15,16).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione?
3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 241.65 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).