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

C15H7F2N3O5 — CID 21323815

IUPAC6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H7F2N3O5/c16-10-2-1-3-11(17)12(10)13-18-14(21)19(15(22)25-13)8-4-6-9(7-5-8)20(23)24/h1-7H
InChIKeyLZZFUUJYZKBKHN-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.04
Rot. Bonds3

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

6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323815) has the molecular formula C15H7F2N3O5 and a molecular weight of 347.23 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323815
Molecular FormulaC15H7F2N3O5
Molecular Weight347.23 g/mol
Exact Mass347.04
IUPAC Name6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H7F2N3O5/c16-10-2-1-3-11(17)12(10)13-18-14(21)19(15(22)25-13)8-4-6-9(7-5-8)20(23)24/h1-7H
InChIKeyLZZFUUJYZKBKHN-UHFFFAOYSA-N
XLogP2.04
TPSA108.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323815) is 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2c(F)cccc2F)oc(=O)n1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is LZZFUUJYZKBKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2N3O5/c16-10-2-1-3-11(17)12(10)13-18-14(21)19(15(22)25-13)8-4-6-9(7-5-8)20(23)24/h1-7H.
What are the key properties of 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione?
6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 347.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-3-(4-nitrophenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).