ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate

C8H10FNO5 — CID 81298009

IUPACethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)COCC1=O
InChIInChI=1S/C8H10FNO5/c1-2-15-8(13)7(9)10-5(11)3-14-4-6(10)12/h7H,2-4H2,1H3
InChIKeyQQHUBJNWFJJLHM-UHFFFAOYSA-N
MW219.17 g/mol
LogP-0.77
Rot. Bonds3

About ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate

ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate (PubChem CID 81298009) has the molecular formula C8H10FNO5 and a molecular weight of 219.17 g/mol. Its IUPAC name is ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate
PubChem CID81298009
Molecular FormulaC8H10FNO5
Molecular Weight219.17 g/mol
Exact Mass219.05
IUPAC Nameethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)COCC1=O
InChIInChI=1S/C8H10FNO5/c1-2-15-8(13)7(9)10-5(11)3-14-4-6(10)12/h7H,2-4H2,1H3
InChIKeyQQHUBJNWFJJLHM-UHFFFAOYSA-N
XLogP-0.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl N,N-diethyloxamate
CID 138489
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
s-Butyl-morpholine-2,5-dione
CID 68619304
Ethyl 2-((2-fluoroethyl)(methyl)amino)-2-oxoacetate
CID 86634927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate (CID 81298009) is ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate is CCOC(=O)C(F)N1C(=O)COCC1=O.
What is the InChIKey of ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate?
The InChIKey is QQHUBJNWFJJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO5/c1-2-15-8(13)7(9)10-5(11)3-14-4-6(10)12/h7H,2-4H2,1H3.
What are the key properties of ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate?
ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate has a molecular weight of 219.17 g/mol, XLogP of -0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dioxomorpholin-4-yl)-2-fluoroacetate is sourced from PubChem (CID 81298009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).