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

C15H7ClF2N2O3 — CID 21323809

IUPAC3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H7ClF2N2O3/c16-8-4-6-9(7-5-8)20-14(21)19-13(23-15(20)22)12-10(17)2-1-3-11(12)18/h1-7H
InChIKeyVPMBYHRODATIOW-UHFFFAOYSA-N
MW336.68 g/mol
LogP2.78
Rot. Bonds2

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

3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323809) has the molecular formula C15H7ClF2N2O3 and a molecular weight of 336.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323809
Molecular FormulaC15H7ClF2N2O3
Molecular Weight336.68 g/mol
Exact Mass336.01
IUPAC Name3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H7ClF2N2O3/c16-8-4-6-9(7-5-8)20-14(21)19-13(23-15(20)22)12-10(17)2-1-3-11(12)18/h1-7H
InChIKeyVPMBYHRODATIOW-UHFFFAOYSA-N
XLogP2.78
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323809) is 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is VPMBYHRODATIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N2O3/c16-8-4-6-9(7-5-8)20-14(21)19-13(23-15(20)22)12-10(17)2-1-3-11(12)18/h1-7H.
What are the key properties of 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione?
3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 336.68 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).