2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid

C7H9F2NO4 — CID 131083741

IUPAC2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid
SMILESO=C(O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H9F2NO4/c8-7(9,6(12)13)5(11)10-1-3-14-4-2-10/h1-4H2,(H,12,13)
InChIKeyFYTBDMXVFHGIMP-UHFFFAOYSA-N
MW209.15 g/mol
LogP-0.43
Rot. Bonds2

About 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid

2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid (PubChem CID 131083741) has the molecular formula C7H9F2NO4 and a molecular weight of 209.15 g/mol. Its IUPAC name is 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid
PubChem CID131083741
Molecular FormulaC7H9F2NO4
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Name2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid
SMILESO=C(O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H9F2NO4/c8-7(9,6(12)13)5(11)10-1-3-14-4-2-10/h1-4H2,(H,12,13)
InChIKeyFYTBDMXVFHGIMP-UHFFFAOYSA-N
XLogP-0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid 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 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid?
The IUPAC name of 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid (CID 131083741) is 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid.
What is the SMILES notation for 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid?
The canonical SMILES for 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid is O=C(O)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid?
The InChIKey is FYTBDMXVFHGIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO4/c8-7(9,6(12)13)5(11)10-1-3-14-4-2-10/h1-4H2,(H,12,13).
What are the key properties of 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid?
2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid has a molecular weight of 209.15 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-morpholin-4-yl-3-oxopropanoic acid is sourced from PubChem (CID 131083741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).