ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate

C11H15FN2O5 — CID 106528101

IUPACethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C11H15FN2O5/c1-2-19-8(15)7(12)14-9(16)11(13-10(14)17)3-5-18-6-4-11/h7H,2-6H2,1H3,(H,13,17)
InChIKeyLNTHISOOWYWSEL-UHFFFAOYSA-N
MW274.25 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate

ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate (PubChem CID 106528101) has the molecular formula C11H15FN2O5 and a molecular weight of 274.25 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate
PubChem CID106528101
Molecular FormulaC11H15FN2O5
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)N1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C11H15FN2O5/c1-2-19-8(15)7(12)14-9(16)11(13-10(14)17)3-5-18-6-4-11/h7H,2-6H2,1H3,(H,13,17)
InChIKeyLNTHISOOWYWSEL-UHFFFAOYSA-N
XLogP-0.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate (CID 106528101) is ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate is CCOC(=O)C(F)N1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate?
The InChIKey is LNTHISOOWYWSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5/c1-2-19-8(15)7(12)14-9(16)11(13-10(14)17)3-5-18-6-4-11/h7H,2-6H2,1H3,(H,13,17).
What are the key properties of ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate?
ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate has a molecular weight of 274.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-fluoroacetate is sourced from PubChem (CID 106528101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).