ethyl 2-(5-fluoropyrimidin-2-yl)acetate

C8H9FN2O2 — CID 70701063

IUPACethyl 2-(5-fluoropyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1ncc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)3-7-10-4-6(9)5-11-7/h4-5H,2-3H2,1H3
InChIKeyVXNNWKGWHULBPZ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.72
Rot. Bonds3

About ethyl 2-(5-fluoropyrimidin-2-yl)acetate

ethyl 2-(5-fluoropyrimidin-2-yl)acetate (PubChem CID 70701063) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is ethyl 2-(5-fluoropyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoropyrimidin-2-yl)acetate
PubChem CID70701063
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Nameethyl 2-(5-fluoropyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1ncc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)3-7-10-4-6(9)5-11-7/h4-5H,2-3H2,1H3
InChIKeyVXNNWKGWHULBPZ-UHFFFAOYSA-N
XLogP0.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoropyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(5-fluoropyrimidin-2-yl)acetate (CID 70701063) is ethyl 2-(5-fluoropyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoropyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-fluoropyrimidin-2-yl)acetate is CCOC(=O)Cc1ncc(F)cn1.
What is the InChIKey of ethyl 2-(5-fluoropyrimidin-2-yl)acetate?
The InChIKey is VXNNWKGWHULBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-13-8(12)3-7-10-4-6(9)5-11-7/h4-5H,2-3H2,1H3.
What are the key properties of ethyl 2-(5-fluoropyrimidin-2-yl)acetate?
ethyl 2-(5-fluoropyrimidin-2-yl)acetate has a molecular weight of 184.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoropyrimidin-2-yl)acetate is sourced from PubChem (CID 70701063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).