4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione

C11H8F3NO3 — CID 63777591

IUPAC4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione
SMILESO=C1CN(c2cccc(C(F)(F)F)c2)CC(=O)O1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)7-2-1-3-8(4-7)15-5-9(16)18-10(17)6-15/h1-4H,5-6H2
InChIKeyYOIHSUOCLYYQOO-UHFFFAOYSA-N
MW259.18 g/mol
LogP1.60
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione

4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione (PubChem CID 63777591) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione
PubChem CID63777591
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione
SMILESO=C1CN(c2cccc(C(F)(F)F)c2)CC(=O)O1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)7-2-1-3-8(4-7)15-5-9(16)18-10(17)6-15/h1-4H,5-6H2
InChIKeyYOIHSUOCLYYQOO-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione (CID 63777591) is 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione is O=C1CN(c2cccc(C(F)(F)F)c2)CC(=O)O1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The InChIKey is YOIHSUOCLYYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c12-11(13,14)7-2-1-3-8(4-7)15-5-9(16)18-10(17)6-15/h1-4H,5-6H2.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione?
4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione has a molecular weight of 259.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]morpholine-2,6-dione is sourced from PubChem (CID 63777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).