3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine

C11H11F3N2O — CID 14024805

IUPAC3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCN1COC(C(F)(F)F)C(c2ccccc2)=N1
InChIInChI=1S/C11H11F3N2O/c1-16-7-17-10(11(12,13)14)9(15-16)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyOTKVGDAYEZWRQN-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.24
Rot. Bonds1

About 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine

3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (PubChem CID 14024805) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
PubChem CID14024805
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCN1COC(C(F)(F)F)C(c2ccccc2)=N1
InChIInChI=1S/C11H11F3N2O/c1-16-7-17-10(11(12,13)14)9(15-16)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyOTKVGDAYEZWRQN-UHFFFAOYSA-N
XLogP2.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine
CID 166782904
2-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanimine
CID 168238037
3-Hydrazinylidene-3-phenyl-2-(trifluoromethoxy)propanenitrile
CID 173800354
(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 14470973
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
CID 134895946
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxyethylidene)amino]methanamine
CID 134896028
(1E)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 134992753
5-(4-Chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592554
3-Ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592556
3-Tert-butyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592557
5-Benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (CID 14024805) is 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is CN1COC(C(F)(F)F)C(c2ccccc2)=N1.
What is the InChIKey of 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The InChIKey is OTKVGDAYEZWRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16-7-17-10(11(12,13)14)9(15-16)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine has a molecular weight of 244.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 14024805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).