ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate

C9H11FN2O3 — CID 81298633

IUPACethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cc(C)cnc1=O
InChIInChI=1S/C9H11FN2O3/c1-3-15-8(13)7(10)12-5-6(2)4-11-9(12)14/h4-5,7H,3H2,1-2H3
InChIKeyBDHBLUCHJZTDPO-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.58
Rot. Bonds3

About ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate

ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate (PubChem CID 81298633) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate
PubChem CID81298633
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cc(C)cnc1=O
InChIInChI=1S/C9H11FN2O3/c1-3-15-8(13)7(10)12-5-6(2)4-11-9(12)14/h4-5,7H,3H2,1-2H3
InChIKeyBDHBLUCHJZTDPO-UHFFFAOYSA-N
XLogP0.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.58
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-(5-methyl-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate (CID 81298633) is ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate is CCOC(=O)C(F)n1cc(C)cnc1=O.
What is the InChIKey of ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate?
The InChIKey is BDHBLUCHJZTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-3-15-8(13)7(10)12-5-6(2)4-11-9(12)14/h4-5,7H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate?
ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate has a molecular weight of 214.20 g/mol, XLogP of 0.58, 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-(5-methyl-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 81298633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).