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

C11H10ClF3N2O — CID 14592554

IUPAC5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCN1COC(C(F)(F)F)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H10ClF3N2O/c1-17-6-18-10(11(13,14)15)9(16-17)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3
InChIKeyYHHVKZNIJHKGSJ-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.89
Rot. Bonds1

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

5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (PubChem CID 14592554) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
PubChem CID14592554
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCN1COC(C(F)(F)F)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H10ClF3N2O/c1-17-6-18-10(11(13,14)15)9(16-17)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3
InChIKeyYHHVKZNIJHKGSJ-UHFFFAOYSA-N
XLogP2.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (CID 14592554) is 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is CN1COC(C(F)(F)F)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The InChIKey is YHHVKZNIJHKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-17-6-18-10(11(13,14)15)9(16-17)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine has a molecular weight of 278.66 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 14592554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).