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

C15H7F3N2O3 — CID 21323798

IUPAC6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H7F3N2O3/c16-8-3-1-4-9(7-8)20-14(21)19-13(23-15(20)22)12-10(17)5-2-6-11(12)18/h1-7H
InChIKeyHBKZRDXRVICOEW-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.27
Rot. Bonds2

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

6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323798) has the molecular formula C15H7F3N2O3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323798
Molecular FormulaC15H7F3N2O3
Molecular Weight320.23 g/mol
Exact Mass320.04
IUPAC Name6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H7F3N2O3/c16-8-3-1-4-9(7-8)20-14(21)19-13(23-15(20)22)12-10(17)5-2-6-11(12)18/h1-7H
InChIKeyHBKZRDXRVICOEW-UHFFFAOYSA-N
XLogP2.27
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.27
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-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323798) is 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1cccc(F)c1.
What is the InChIKey of 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is HBKZRDXRVICOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O3/c16-8-3-1-4-9(7-8)20-14(21)19-13(23-15(20)22)12-10(17)5-2-6-11(12)18/h1-7H.
What are the key properties of 6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
6-(2,6-difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 320.23 g/mol, XLogP of 2.27, 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-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).