2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one

C11H8FNO2 — CID 15275252

IUPAC2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one
SMILESCc1cc(=O)nc(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H8FNO2/c1-7-6-10(14)13-11(15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeySHOMCCZERZCFKK-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one

2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one (PubChem CID 15275252) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one
PubChem CID15275252
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one
SMILESCc1cc(=O)nc(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H8FNO2/c1-7-6-10(14)13-11(15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeySHOMCCZERZCFKK-UHFFFAOYSA-N
XLogP2.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one (CID 15275252) is 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one is Cc1cc(=O)nc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one?
The InChIKey is SHOMCCZERZCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-7-6-10(14)13-11(15-7)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one?
2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one has a molecular weight of 205.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-1,3-oxazin-4-one is sourced from PubChem (CID 15275252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).