4-(3,5-difluorophenyl)morpholine-2,6-dione

C10H7F2NO3 — CID 63779033

IUPAC4-(3,5-difluorophenyl)morpholine-2,6-dione
SMILESO=C1CN(c2cc(F)cc(F)c2)CC(=O)O1
InChIInChI=1S/C10H7F2NO3/c11-6-1-7(12)3-8(2-6)13-4-9(14)16-10(15)5-13/h1-3H,4-5H2
InChIKeyOQIFFWRBOGZBIA-UHFFFAOYSA-N
MW227.17 g/mol
LogP0.85
Rot. Bonds1

About 4-(3,5-difluorophenyl)morpholine-2,6-dione

4-(3,5-difluorophenyl)morpholine-2,6-dione (PubChem CID 63779033) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)morpholine-2,6-dione
PubChem CID63779033
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name4-(3,5-difluorophenyl)morpholine-2,6-dione
SMILESO=C1CN(c2cc(F)cc(F)c2)CC(=O)O1
InChIInChI=1S/C10H7F2NO3/c11-6-1-7(12)3-8(2-6)13-4-9(14)16-10(15)5-13/h1-3H,4-5H2
InChIKeyOQIFFWRBOGZBIA-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dichloro-4-fluorophenyl)morpholine-2,6-dione
CID 83081600
4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
CID 65491246
4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
CID 107579563
4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
CID 65499867
1-(3,5-difluorophenyl)pyrrolidine
CID 18454792
4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
CID 63789775
4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione
CID 55237902
1-(3,5-difluorophenyl)piperidine
CID 55251038
1-(3,5-difluorophenyl)pyrrolidine-2,4-dione
CID 79515218
4-(3-ethylphenyl)morpholine-2,6-dione
CID 63777941
1-(3-bromo-5-fluorophenyl)piperidin-4-one
CID 121456121
4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
CID 134499697

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)morpholine-2,6-dione?
The IUPAC name of 4-(3,5-difluorophenyl)morpholine-2,6-dione (CID 63779033) is 4-(3,5-difluorophenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(3,5-difluorophenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(3,5-difluorophenyl)morpholine-2,6-dione is O=C1CN(c2cc(F)cc(F)c2)CC(=O)O1.
What is the InChIKey of 4-(3,5-difluorophenyl)morpholine-2,6-dione?
The InChIKey is OQIFFWRBOGZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-6-1-7(12)3-8(2-6)13-4-9(14)16-10(15)5-13/h1-3H,4-5H2.
What are the key properties of 4-(3,5-difluorophenyl)morpholine-2,6-dione?
4-(3,5-difluorophenyl)morpholine-2,6-dione has a molecular weight of 227.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)morpholine-2,6-dione is sourced from PubChem (CID 63779033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).