1-(5-fluoropyrimidin-2-yl)ethanone

C6H5FN2O — CID 50994815

IUPAC1-(5-fluoropyrimidin-2-yl)ethanone
SMILESCC(=O)c1ncc(F)cn1
InChIInChI=1S/C6H5FN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3
InChIKeyNNJJXGKCENQOJW-UHFFFAOYSA-N
MW140.12 g/mol
LogP0.82
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)ethanone

1-(5-fluoropyrimidin-2-yl)ethanone (PubChem CID 50994815) has the molecular formula C6H5FN2O and a molecular weight of 140.12 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)ethanone
PubChem CID50994815
Molecular FormulaC6H5FN2O
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name1-(5-fluoropyrimidin-2-yl)ethanone
SMILESCC(=O)c1ncc(F)cn1
InChIInChI=1S/C6H5FN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3
InChIKeyNNJJXGKCENQOJW-UHFFFAOYSA-N
XLogP0.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)ethanone?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)ethanone (CID 50994815) is 1-(5-fluoropyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)ethanone is CC(=O)c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)ethanone?
The InChIKey is NNJJXGKCENQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)ethanone?
1-(5-fluoropyrimidin-2-yl)ethanone has a molecular weight of 140.12 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)ethanone is sourced from PubChem (CID 50994815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).