[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate

C12H17FN2O5 — CID 76741739

IUPAC[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
SMILESCCC1OC(N2CCC(=O)NC2=O)C(F)C1OC(C)=O
InChIInChI=1S/C12H17FN2O5/c1-3-7-10(19-6(2)16)9(13)11(20-7)15-5-4-8(17)14-12(15)18/h7,9-11H,3-5H2,1-2H3,(H,14,17,18)
InChIKeyTYHAMKQNLHFZCP-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.33
Rot. Bonds3

About [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate

[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate (PubChem CID 76741739) has the molecular formula C12H17FN2O5 and a molecular weight of 288.28 g/mol. Its IUPAC name is [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
PubChem CID76741739
Molecular FormulaC12H17FN2O5
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
SMILESCCC1OC(N2CCC(=O)NC2=O)C(F)C1OC(C)=O
InChIInChI=1S/C12H17FN2O5/c1-3-7-10(19-6(2)16)9(13)11(20-7)15-5-4-8(17)14-12(15)18/h7,9-11H,3-5H2,1-2H3,(H,14,17,18)
InChIKeyTYHAMKQNLHFZCP-UHFFFAOYSA-N
XLogP0.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
The IUPAC name of [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate (CID 76741739) is [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate.
What is the SMILES notation for [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
The canonical SMILES for [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate is CCC1OC(N2CCC(=O)NC2=O)C(F)C1OC(C)=O.
What is the InChIKey of [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
The InChIKey is TYHAMKQNLHFZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O5/c1-3-7-10(19-6(2)16)9(13)11(20-7)15-5-4-8(17)14-12(15)18/h7,9-11H,3-5H2,1-2H3,(H,14,17,18).
What are the key properties of [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate has a molecular weight of 288.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxo-1,3-diazinan-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate is sourced from PubChem (CID 76741739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).