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

C16H9F2NO2 — CID 921563

IUPAC2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one
SMILESO=c1cc(-c2ccccc2F)nc(-c2ccccc2F)o1
InChIInChI=1S/C16H9F2NO2/c17-12-7-3-1-5-10(12)14-9-15(20)21-16(19-14)11-6-2-4-8-13(11)18/h1-9H
InChIKeyVXBQYYALNXGKQZ-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.65
Rot. Bonds2

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

2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one (PubChem CID 921563) has the molecular formula C16H9F2NO2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one
PubChem CID921563
Molecular FormulaC16H9F2NO2
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one
SMILESO=c1cc(-c2ccccc2F)nc(-c2ccccc2F)o1
InChIInChI=1S/C16H9F2NO2/c17-12-7-3-1-5-10(12)14-9-15(20)21-16(19-14)11-6-2-4-8-13(11)18/h1-9H
InChIKeyVXBQYYALNXGKQZ-UHFFFAOYSA-N
XLogP3.65
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one?
The IUPAC name of 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one (CID 921563) is 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one is O=c1cc(-c2ccccc2F)nc(-c2ccccc2F)o1.
What is the InChIKey of 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one?
The InChIKey is VXBQYYALNXGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO2/c17-12-7-3-1-5-10(12)14-9-15(20)21-16(19-14)11-6-2-4-8-13(11)18/h1-9H.
What are the key properties of 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one?
2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one has a molecular weight of 285.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-fluorophenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 921563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).