5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one

C12H13F2NO2 — CID 18623225

IUPAC5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one
SMILESCC1(C)OCC(=O)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-12(2)11(15-10(16)6-17-12)7-3-4-8(13)9(14)5-7/h3-5,11H,6H2,1-2H3,(H,15,16)
InChIKeyJNINTVRTHJJINF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.93
Rot. Bonds1

About 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one

5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one (PubChem CID 18623225) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one
PubChem CID18623225
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one
SMILESCC1(C)OCC(=O)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-12(2)11(15-10(16)6-17-12)7-3-4-8(13)9(14)5-7/h3-5,11H,6H2,1-2H3,(H,15,16)
InChIKeyJNINTVRTHJJINF-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-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-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one?
The IUPAC name of 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one (CID 18623225) is 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one is CC1(C)OCC(=O)NC1c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one?
The InChIKey is JNINTVRTHJJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-12(2)11(15-10(16)6-17-12)7-3-4-8(13)9(14)5-7/h3-5,11H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one?
5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one has a molecular weight of 241.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6,6-dimethylmorpholin-3-one is sourced from PubChem (CID 18623225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).