4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

C11H12F6N4O3 — CID 1227424

IUPAC4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C11H12F6N4O3/c12-10(13,14)5-23-8-18-7(21-1-3-22-4-2-21)19-9(20-8)24-6-11(15,16)17/h1-6H2
InChIKeyMCXOOVVOSCOAFV-UHFFFAOYSA-N
MW362.23 g/mol
LogP1.59
Rot. Bonds5

About 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine

4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 1227424) has the molecular formula C11H12F6N4O3 and a molecular weight of 362.23 g/mol. Its IUPAC name is 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID1227424
Molecular FormulaC11H12F6N4O3
Molecular Weight362.23 g/mol
Exact Mass362.08
IUPAC Name4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C11H12F6N4O3/c12-10(13,14)5-23-8-18-7(21-1-3-22-4-2-21)19-9(20-8)24-6-11(15,16)17/h1-6H2
InChIKeyMCXOOVVOSCOAFV-UHFFFAOYSA-N
XLogP1.59
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
2-Chloro-4-methoxy-6-(morpholin-4-yl)-1,3,5-triazine
CID 686256
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
N-methyl-4-(4-morpholinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
Acetonitrile, ((4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl)oxy)-
CID 3071536
Acetonitrile, 2,2'-((6-(4-morpholinyl)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-
CID 3071542
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
CID 2734060
1,3,5-Triazine, 2,4-dimethoxy-6-(4-morpholinyl)-
CID 4092448
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(4-morpholyl)-
CID 549986
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
2,4-Bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 3912928

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine (CID 1227424) is 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is FC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is MCXOOVVOSCOAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N4O3/c12-10(13,14)5-23-8-18-7(21-1-3-22-4-2-21)19-9(20-8)24-6-11(15,16)17/h1-6H2.
What are the key properties of 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 362.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 1227424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).