ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate

C8H9FN2O3 — CID 81296532

IUPACethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cccnc1=O
InChIInChI=1S/C8H9FN2O3/c1-2-14-7(12)6(9)11-5-3-4-10-8(11)13/h3-6H,2H2,1H3
InChIKeyCEIJTOWLVNVVLY-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.27
Rot. Bonds3

About ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate

ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate (PubChem CID 81296532) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
PubChem CID81296532
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cccnc1=O
InChIInChI=1S/C8H9FN2O3/c1-2-14-7(12)6(9)11-5-3-4-10-8(11)13/h3-6H,2H2,1H3
InChIKeyCEIJTOWLVNVVLY-UHFFFAOYSA-N
XLogP0.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate (CID 81296532) is ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate is CCOC(=O)C(F)n1cccnc1=O.
What is the InChIKey of ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate?
The InChIKey is CEIJTOWLVNVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-2-14-7(12)6(9)11-5-3-4-10-8(11)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate?
ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate has a molecular weight of 200.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 81296532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).