methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate

C7H7FN2O4 — CID 174382861

IUPACmethyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-14-6(12)5(8)10-3-2-4(11)9-7(10)13/h2-3,5H,1H3,(H,9,11,13)
InChIKeyIAIOEDIDKHROBP-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.82
Rot. Bonds2

About methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate

methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate (PubChem CID 174382861) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
PubChem CID174382861
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-14-6(12)5(8)10-3-2-4(11)9-7(10)13/h2-3,5H,1H3,(H,9,11,13)
InChIKeyIAIOEDIDKHROBP-UHFFFAOYSA-N
XLogP-0.82
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
The IUPAC name of methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate (CID 174382861) is methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate is COC(=O)C(F)n1ccc(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
The InChIKey is IAIOEDIDKHROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-14-6(12)5(8)10-3-2-4(11)9-7(10)13/h2-3,5H,1H3,(H,9,11,13).
What are the key properties of methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate?
methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate has a molecular weight of 202.14 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 174382861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).