4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione

C11H10FNO4 — CID 58393490

IUPAC4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
SMILESCOc1ccc(N2C(=O)COCC2=O)cc1F
InChIInChI=1S/C11H10FNO4/c1-16-9-3-2-7(4-8(9)12)13-10(14)5-17-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyXYKWGKKOEUENSR-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.72
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione

4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione (PubChem CID 58393490) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
PubChem CID58393490
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
SMILESCOc1ccc(N2C(=O)COCC2=O)cc1F
InChIInChI=1S/C11H10FNO4/c1-16-9-3-2-7(4-8(9)12)13-10(14)5-17-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyXYKWGKKOEUENSR-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione (CID 58393490) is 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione is COc1ccc(N2C(=O)COCC2=O)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione?
The InChIKey is XYKWGKKOEUENSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-16-9-3-2-7(4-8(9)12)13-10(14)5-17-6-11(13)15/h2-4H,5-6H2,1H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione?
4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione has a molecular weight of 239.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione is sourced from PubChem (CID 58393490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).