5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one

C11H13FN2O2 — CID 58155207

IUPAC5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESCC1(c2cc(N)ccc2F)COCC(=O)N1
InChIInChI=1S/C11H13FN2O2/c1-11(6-16-5-10(15)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,15)
InChIKeyFADINWBEHZKOSH-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.77
Rot. Bonds1

About 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one

5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one (PubChem CID 58155207) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one.

Molecular Properties

Compound Name5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one
PubChem CID58155207
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESCC1(c2cc(N)ccc2F)COCC(=O)N1
InChIInChI=1S/C11H13FN2O2/c1-11(6-16-5-10(15)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,15)
InChIKeyFADINWBEHZKOSH-UHFFFAOYSA-N
XLogP0.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one 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 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
The IUPAC name of 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one (CID 58155207) is 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one.
What is the SMILES notation for 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
The canonical SMILES for 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one is CC1(c2cc(N)ccc2F)COCC(=O)N1.
What is the InChIKey of 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
The InChIKey is FADINWBEHZKOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-11(6-16-5-10(15)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one has a molecular weight of 224.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one is sourced from PubChem (CID 58155207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).