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

C15H7Cl2FN2O3 — CID 21323808

IUPAC6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2cc(Cl)cc(Cl)c2)oc(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C15H7Cl2FN2O3/c16-9-5-8(6-10(17)7-9)13-19-14(21)20(15(22)23-13)12-3-1-11(18)2-4-12/h1-7H
InChIKeyWPFQFIWXKCDNJR-UHFFFAOYSA-N
MW353.14 g/mol
LogP3.30
Rot. Bonds2

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

6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323808) has the molecular formula C15H7Cl2FN2O3 and a molecular weight of 353.14 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323808
Molecular FormulaC15H7Cl2FN2O3
Molecular Weight353.14 g/mol
Exact Mass351.98
IUPAC Name6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2cc(Cl)cc(Cl)c2)oc(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C15H7Cl2FN2O3/c16-9-5-8(6-10(17)7-9)13-19-14(21)20(15(22)23-13)12-3-1-11(18)2-4-12/h1-7H
InChIKeyWPFQFIWXKCDNJR-UHFFFAOYSA-N
XLogP3.30
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323808) is 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2cc(Cl)cc(Cl)c2)oc(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is WPFQFIWXKCDNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FN2O3/c16-9-5-8(6-10(17)7-9)13-19-14(21)20(15(22)23-13)12-3-1-11(18)2-4-12/h1-7H.
What are the key properties of 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione?
6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 353.14 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).