4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione

C11H9F2NO3 — CID 82819600

IUPAC4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione
SMILESCc1ccc(F)c(N2CC(=O)OC(=O)C2)c1F
InChIInChI=1S/C11H9F2NO3/c1-6-2-3-7(12)11(10(6)13)14-4-8(15)17-9(16)5-14/h2-3H,4-5H2,1H3
InChIKeyCCQWTVAQBKSYSX-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.16
Rot. Bonds1

About 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione

4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione (PubChem CID 82819600) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione
PubChem CID82819600
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione
SMILESCc1ccc(F)c(N2CC(=O)OC(=O)C2)c1F
InChIInChI=1S/C11H9F2NO3/c1-6-2-3-7(12)11(10(6)13)14-4-8(15)17-9(16)5-14/h2-3H,4-5H2,1H3
InChIKeyCCQWTVAQBKSYSX-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione (CID 82819600) is 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione is Cc1ccc(F)c(N2CC(=O)OC(=O)C2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione?
The InChIKey is CCQWTVAQBKSYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c1-6-2-3-7(12)11(10(6)13)14-4-8(15)17-9(16)5-14/h2-3H,4-5H2,1H3.
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione?
4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione has a molecular weight of 241.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)morpholine-2,6-dione is sourced from PubChem (CID 82819600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).