2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate

C9H11FN2O4 — CID 175177629

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate
SMILESCCC(=O)OCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-2-7(13)16-4-3-12-5-6(10)8(14)11-9(12)15/h5H,2-4H2,1H3,(H,11,14,15)
InChIKeyUOUBCTHKTNDLBY-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.37
Rot. Bonds4

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate (PubChem CID 175177629) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate
PubChem CID175177629
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate
SMILESCCC(=O)OCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-2-7(13)16-4-3-12-5-6(10)8(14)11-9(12)15/h5H,2-4H2,1H3,(H,11,14,15)
InChIKeyUOUBCTHKTNDLBY-UHFFFAOYSA-N
XLogP-0.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate (CID 175177629) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate is CCC(=O)OCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate?
The InChIKey is UOUBCTHKTNDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-2-7(13)16-4-3-12-5-6(10)8(14)11-9(12)15/h5H,2-4H2,1H3,(H,11,14,15).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate has a molecular weight of 230.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate is sourced from PubChem (CID 175177629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).