ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate

C8H12FNO4 — CID 81297924

IUPACethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate
SMILESCCOC(=O)C(F)N1CCOCC1=O
InChIInChI=1S/C8H12FNO4/c1-2-14-8(12)7(9)10-3-4-13-5-6(10)11/h7H,2-5H2,1H3
InChIKeyFBTPLJWPOWGMMW-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.30
Rot. Bonds3

About ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate

ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate (PubChem CID 81297924) has the molecular formula C8H12FNO4 and a molecular weight of 205.18 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate
PubChem CID81297924
Molecular FormulaC8H12FNO4
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Nameethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate
SMILESCCOC(=O)C(F)N1CCOCC1=O
InChIInChI=1S/C8H12FNO4/c1-2-14-8(12)7(9)10-3-4-13-5-6(10)11/h7H,2-5H2,1H3
InChIKeyFBTPLJWPOWGMMW-UHFFFAOYSA-N
XLogP-0.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl Oxo(Piperidin-1-Yl)Acetate
CID 104406
Ethyl N,N-diethyloxamate
CID 138489
(Morpholin-4-yl)(oxo)acetic acid
CID 15401443
2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
Ethyl (4-ethyl-1-piperazinyl)(oxo)acetate
CID 2166906
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
Acetoxyacetic acid, morpholide
CID 531940
Ethyl 2-(4-methylpiperazin-1-yl)-2-oxoacetate
CID 3255797
4-Methyl-morpholine-2,3-dione
CID 11137188
N-methyl-2,5-morpholinedione
CID 20463711
Diethyl N,N':N,N'-bis(ethylene)dioxamate
CID 46708292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate (CID 81297924) is ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate is CCOC(=O)C(F)N1CCOCC1=O.
What is the InChIKey of ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate?
The InChIKey is FBTPLJWPOWGMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO4/c1-2-14-8(12)7(9)10-3-4-13-5-6(10)11/h7H,2-5H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate?
ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate has a molecular weight of 205.18 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-oxomorpholin-4-yl)acetate is sourced from PubChem (CID 81297924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).