2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

C16H15F6N3O2 — CID 2817927

IUPAC2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESCc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1
InChIInChI=1S/C16H15F6N3O2/c1-10-4-2-3-5-11(10)12-23-14(15(17,18)19,16(20,21)22)24-13(27-12)25-6-8-26-9-7-25/h2-5H,6-9H2,1H3
InChIKeyLYTFMCXQEMTMIU-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 2817927) has the molecular formula C16H15F6N3O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID2817927
Molecular FormulaC16H15F6N3O2
Molecular Weight395.30 g/mol
Exact Mass395.11
IUPAC Name2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESCc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1
InChIInChI=1S/C16H15F6N3O2/c1-10-4-2-3-5-11(10)12-23-14(15(17,18)19,16(20,21)22)24-13(27-12)25-6-8-26-9-7-25/h2-5H,6-9H2,1H3
InChIKeyLYTFMCXQEMTMIU-UHFFFAOYSA-N
XLogP3.28
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (CID 2817927) is 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1.
What is the InChIKey of 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is LYTFMCXQEMTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N3O2/c1-10-4-2-3-5-11(10)12-23-14(15(17,18)19,16(20,21)22)24-13(27-12)25-6-8-26-9-7-25/h2-5H,6-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 395.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 2817927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).