2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid

C6H8FNO4 — CID 81297923

IUPAC2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid
SMILESO=C(O)C(F)N1CCOCC1=O
InChIInChI=1S/C6H8FNO4/c7-5(6(10)11)8-1-2-12-3-4(8)9/h5H,1-3H2,(H,10,11)
InChIKeyKDRUBQZTLSLGAE-UHFFFAOYSA-N
MW177.13 g/mol
LogP-0.77
Rot. Bonds2

About 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid

2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid (PubChem CID 81297923) has the molecular formula C6H8FNO4 and a molecular weight of 177.13 g/mol. Its IUPAC name is 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid
PubChem CID81297923
Molecular FormulaC6H8FNO4
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Name2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid
SMILESO=C(O)C(F)N1CCOCC1=O
InChIInChI=1S/C6H8FNO4/c7-5(6(10)11)8-1-2-12-3-4(8)9/h5H,1-3H2,(H,10,11)
InChIKeyKDRUBQZTLSLGAE-UHFFFAOYSA-N
XLogP-0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(Morpholin-4-yl)(oxo)acetic acid
CID 15401443
2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
2-(3-Oxomorpholin-4-yl)propanoic acid
CID 79468110
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
4-Methyl-morpholine-2,3-dione
CID 11137188
N-methyl-2,5-morpholinedione
CID 20463711
Ethyl 2-((2-fluoroethyl)(methyl)amino)-2-oxoacetate
CID 86634927
4,4,4-Trifluorobut-2-ynyl 2-morpholin-4-yl-2-oxoacetate
CID 139567676
3-Fluoroprop-2-ynyl 2-morpholin-4-yl-2-oxoacetate
CID 139567736
[2-[4-(2-Hydroxyacetyl)piperazin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 155797915
2-(3-Oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate
CID 174550158
4-(2-Hydroxyethyl)morpholine-2,3-dione
CID 458488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid (CID 81297923) is 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid is O=C(O)C(F)N1CCOCC1=O.
What is the InChIKey of 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid?
The InChIKey is KDRUBQZTLSLGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO4/c7-5(6(10)11)8-1-2-12-3-4(8)9/h5H,1-3H2,(H,10,11).
What are the key properties of 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid?
2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid has a molecular weight of 177.13 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-oxomorpholin-4-yl)acetic acid is sourced from PubChem (CID 81297923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).