6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione

C15H8F2N2O3 — CID 21323794

IUPAC6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccccc1
InChIInChI=1S/C15H8F2N2O3/c16-10-7-4-8-11(17)12(10)13-18-14(20)19(15(21)22-13)9-5-2-1-3-6-9/h1-8H
InChIKeyWQTJSUQNPBWESW-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.13
Rot. Bonds2

About 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione

6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323794) has the molecular formula C15H8F2N2O3 and a molecular weight of 302.24 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
PubChem CID21323794
Molecular FormulaC15H8F2N2O3
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccccc1
InChIInChI=1S/C15H8F2N2O3/c16-10-7-4-8-11(17)12(10)13-18-14(20)19(15(21)22-13)9-5-2-1-3-6-9/h1-8H
InChIKeyWQTJSUQNPBWESW-UHFFFAOYSA-N
XLogP2.13
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione (CID 21323794) is 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccccc1.
What is the InChIKey of 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
The InChIKey is WQTJSUQNPBWESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O3/c16-10-7-4-8-11(17)12(10)13-18-14(20)19(15(21)22-13)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione has a molecular weight of 302.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).