3-ethenyl-2-(fluoromethyl)pyrimidin-4-one

C7H7FN2O — CID 159542129

IUPAC3-ethenyl-2-(fluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(CF)nccc1=O
InChIInChI=1S/C7H7FN2O/c1-2-10-6(5-8)9-4-3-7(10)11/h2-4H,1,5H2
InChIKeyMEIRWLDTIFUFKY-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.81
Rot. Bonds2

About 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one

3-ethenyl-2-(fluoromethyl)pyrimidin-4-one (PubChem CID 159542129) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethenyl-2-(fluoromethyl)pyrimidin-4-one
PubChem CID159542129
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name3-ethenyl-2-(fluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(CF)nccc1=O
InChIInChI=1S/C7H7FN2O/c1-2-10-6(5-8)9-4-3-7(10)11/h2-4H,1,5H2
InChIKeyMEIRWLDTIFUFKY-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one (CID 159542129) is 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one is C=Cn1c(CF)nccc1=O.
What is the InChIKey of 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one?
The InChIKey is MEIRWLDTIFUFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c1-2-10-6(5-8)9-4-3-7(10)11/h2-4H,1,5H2.
What are the key properties of 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one?
3-ethenyl-2-(fluoromethyl)pyrimidin-4-one has a molecular weight of 154.14 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(fluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 159542129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).