1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone

C7H7FN2O — CID 121395183

IUPAC1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone
SMILESCC(=O)c1cc(CF)ncn1
InChIInChI=1S/C7H7FN2O/c1-5(11)7-2-6(3-8)9-4-10-7/h2,4H,3H2,1H3
InChIKeyHJJIQPXNQCCTEA-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.15
Rot. Bonds2

About 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone

1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone (PubChem CID 121395183) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone
PubChem CID121395183
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone
SMILESCC(=O)c1cc(CF)ncn1
InChIInChI=1S/C7H7FN2O/c1-5(11)7-2-6(3-8)9-4-10-7/h2,4H,3H2,1H3
InChIKeyHJJIQPXNQCCTEA-UHFFFAOYSA-N
XLogP1.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone (CID 121395183) is 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone is CC(=O)c1cc(CF)ncn1.
What is the InChIKey of 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone?
The InChIKey is HJJIQPXNQCCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c1-5(11)7-2-6(3-8)9-4-10-7/h2,4H,3H2,1H3.
What are the key properties of 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone?
1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone has a molecular weight of 154.14 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(fluoromethyl)pyrimidin-4-yl]ethanone is sourced from PubChem (CID 121395183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).