4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione

C11H10FNO4 — CID 63789775

IUPAC4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
SMILESCOc1cc(F)ccc1N1CC(=O)OC(=O)C1
InChIInChI=1S/C11H10FNO4/c1-16-9-4-7(12)2-3-8(9)13-5-10(14)17-11(15)6-13/h2-4H,5-6H2,1H3
InChIKeyKQSPXOIMDJKUKB-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.72
Rot. Bonds2

About 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione

4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione (PubChem CID 63789775) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
PubChem CID63789775
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
SMILESCOc1cc(F)ccc1N1CC(=O)OC(=O)C1
InChIInChI=1S/C11H10FNO4/c1-16-9-4-7(12)2-3-8(9)13-5-10(14)17-11(15)6-13/h2-4H,5-6H2,1H3
InChIKeyKQSPXOIMDJKUKB-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
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 ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione (CID 63789775) is 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione is COc1cc(F)ccc1N1CC(=O)OC(=O)C1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione?
The InChIKey is KQSPXOIMDJKUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-16-9-4-7(12)2-3-8(9)13-5-10(14)17-11(15)6-13/h2-4H,5-6H2,1H3.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione?
4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione has a molecular weight of 239.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione is sourced from PubChem (CID 63789775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).