5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid

C11H8FNO5 — CID 61326993

IUPAC5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(N2C(=O)COCC2=O)ccc1F
InChIInChI=1S/C11H8FNO5/c12-8-2-1-6(3-7(8)11(16)17)13-9(14)4-18-5-10(13)15/h1-3H,4-5H2,(H,16,17)
InChIKeyUVLQMKRCHIASOS-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.41
Rot. Bonds2

About 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid

5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid (PubChem CID 61326993) has the molecular formula C11H8FNO5 and a molecular weight of 253.18 g/mol. Its IUPAC name is 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid
PubChem CID61326993
Molecular FormulaC11H8FNO5
Molecular Weight253.18 g/mol
Exact Mass253.04
IUPAC Name5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(N2C(=O)COCC2=O)ccc1F
InChIInChI=1S/C11H8FNO5/c12-8-2-1-6(3-7(8)11(16)17)13-9(14)4-18-5-10(13)15/h1-3H,4-5H2,(H,16,17)
InChIKeyUVLQMKRCHIASOS-UHFFFAOYSA-N
XLogP0.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid?
The IUPAC name of 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid (CID 61326993) is 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid is O=C(O)c1cc(N2C(=O)COCC2=O)ccc1F.
What is the InChIKey of 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid?
The InChIKey is UVLQMKRCHIASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO5/c12-8-2-1-6(3-7(8)11(16)17)13-9(14)4-18-5-10(13)15/h1-3H,4-5H2,(H,16,17).
What are the key properties of 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid?
5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid has a molecular weight of 253.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dioxomorpholin-4-yl)-2-fluorobenzoic acid is sourced from PubChem (CID 61326993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).