2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one

C9H7FN2O2 — CID 86117797

IUPAC2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one
SMILESO=C1CNN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-12-11-5-8(13)14-9/h1-4,11H,5H2
InChIKeyLMXIDXWSZZUATB-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.63
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one

2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one (PubChem CID 86117797) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one
PubChem CID86117797
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one
SMILESO=C1CNN=C(c2ccc(F)cc2)O1
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-12-11-5-8(13)14-9/h1-4,11H,5H2
InChIKeyLMXIDXWSZZUATB-UHFFFAOYSA-N
XLogP0.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one (CID 86117797) is 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one is O=C1CNN=C(c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one?
The InChIKey is LMXIDXWSZZUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-12-11-5-8(13)14-9/h1-4,11H,5H2.
What are the key properties of 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one?
2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one has a molecular weight of 194.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dihydro-1,3,4-oxadiazin-6-one is sourced from PubChem (CID 86117797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).