6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one

C11H9F3N2O3 — CID 69145701

IUPAC6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one
SMILESCC1OC(OC(F)(F)F)=NN(c2ccccc2)C1=O
InChIInChI=1S/C11H9F3N2O3/c1-7-9(17)16(8-5-3-2-4-6-8)15-10(18-7)19-11(12,13)14/h2-7H,1H3
InChIKeyJEPLAFDBXOTMDN-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.25
Rot. Bonds1

About 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one

6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one (PubChem CID 69145701) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one
PubChem CID69145701
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one
SMILESCC1OC(OC(F)(F)F)=NN(c2ccccc2)C1=O
InChIInChI=1S/C11H9F3N2O3/c1-7-9(17)16(8-5-3-2-4-6-8)15-10(18-7)19-11(12,13)14/h2-7H,1H3
InChIKeyJEPLAFDBXOTMDN-UHFFFAOYSA-N
XLogP2.25
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one?
The IUPAC name of 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one (CID 69145701) is 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one?
The canonical SMILES for 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one is CC1OC(OC(F)(F)F)=NN(c2ccccc2)C1=O.
What is the InChIKey of 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one?
The InChIKey is JEPLAFDBXOTMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-7-9(17)16(8-5-3-2-4-6-8)15-10(18-7)19-11(12,13)14/h2-7H,1H3.
What are the key properties of 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one?
6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one has a molecular weight of 274.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-2-(trifluoromethoxy)-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 69145701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).