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

C16H10F2N2O3 — CID 21323830

IUPAC6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1ccc(-n2c(=O)nc(-c3c(F)cccc3F)oc2=O)cc1
InChIInChI=1S/C16H10F2N2O3/c1-9-5-7-10(8-6-9)20-15(21)19-14(23-16(20)22)13-11(17)3-2-4-12(13)18/h2-8H,1H3
InChIKeyJCBRAZQURULBRH-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.44
Rot. Bonds2

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

6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323830) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323830
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1ccc(-n2c(=O)nc(-c3c(F)cccc3F)oc2=O)cc1
InChIInChI=1S/C16H10F2N2O3/c1-9-5-7-10(8-6-9)20-15(21)19-14(23-16(20)22)13-11(17)3-2-4-12(13)18/h2-8H,1H3
InChIKeyJCBRAZQURULBRH-UHFFFAOYSA-N
XLogP2.44
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.44
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-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323830) is 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione is Cc1ccc(-n2c(=O)nc(-c3c(F)cccc3F)oc2=O)cc1.
What is the InChIKey of 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is JCBRAZQURULBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c1-9-5-7-10(8-6-9)20-15(21)19-14(23-16(20)22)13-11(17)3-2-4-12(13)18/h2-8H,1H3.
What are the key properties of 6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
6-(2,6-difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 316.26 g/mol, XLogP of 2.44, 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-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).