5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine

C11H11F3N2O — CID 102056700

IUPAC5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESCc1ccc(C2=NNCOC2C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-7-2-4-8(5-3-7)9-10(11(12,13)14)17-6-15-16-9/h2-5,10,15H,6H2,1H3
InChIKeyWNTWGNUHPDWRMM-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.21
Rot. Bonds1

About 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine

5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine (PubChem CID 102056700) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine.

Molecular Properties

Compound Name5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
PubChem CID102056700
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESCc1ccc(C2=NNCOC2C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-7-2-4-8(5-3-7)9-10(11(12,13)14)17-6-15-16-9/h2-5,10,15H,6H2,1H3
InChIKeyWNTWGNUHPDWRMM-UHFFFAOYSA-N
XLogP2.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11427553, Example 83
CID 137462658
US11427553, Example 267
CID 137462730
US11427553, Example 147
CID 137462812
US11427553, Example Intermediate 75
CID 137462818
US11427553, Example 139
CID 137462829
US11427553, Example 63
CID 137463400
3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
5-(4-Fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 86165590
5-[4-Fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462819
5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
CID 137462845
5-[4-(2,5-dihydrofuran-3-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
CID 137463000
6-Methyl-5-(3,4,5-trifluorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137465173

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine?
The IUPAC name of 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine (CID 102056700) is 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine.
What is the SMILES notation for 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine?
The canonical SMILES for 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine is Cc1ccc(C2=NNCOC2C(F)(F)F)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine?
The InChIKey is WNTWGNUHPDWRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-2-4-8(5-3-7)9-10(11(12,13)14)17-6-15-16-9/h2-5,10,15H,6H2,1H3.
What are the key properties of 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine?
5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine has a molecular weight of 244.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine is sourced from PubChem (CID 102056700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).