ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate

C10H13FN2O4 — CID 81297003

IUPACethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-3-6-5-13(10(16)12-8(6)14)7(11)9(15)17-4-2/h5,7H,3-4H2,1-2H3,(H,12,14,16)
InChIKeyRUYZDVIDEFHLRK-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.13
Rot. Bonds4

About ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate

ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate (PubChem CID 81297003) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
PubChem CID81297003
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-3-6-5-13(10(16)12-8(6)14)7(11)9(15)17-4-2/h5,7H,3-4H2,1-2H3,(H,12,14,16)
InChIKeyRUYZDVIDEFHLRK-UHFFFAOYSA-N
XLogP0.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate (CID 81297003) is ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1cc(CC)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
The InChIKey is RUYZDVIDEFHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-3-6-5-13(10(16)12-8(6)14)7(11)9(15)17-4-2/h5,7H,3-4H2,1-2H3,(H,12,14,16).
What are the key properties of ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate has a molecular weight of 244.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81297003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).