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

C13H10F12N4O3 — CID 549986

IUPAC4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1)C(F)(F)F
InChIInChI=1S/C13H10F12N4O3/c14-10(15,16)5(11(17,18)19)31-8-26-7(29-1-3-30-4-2-29)27-9(28-8)32-6(12(20,21)22)13(23,24)25/h5-6H,1-4H2
InChIKeyGZCXLFVPSWPKDX-UHFFFAOYSA-N
MW498.22 g/mol
LogP3.45
Rot. Bonds5

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

4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 549986) has the molecular formula C13H10F12N4O3 and a molecular weight of 498.22 g/mol. Its IUPAC name is 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID549986
Molecular FormulaC13H10F12N4O3
Molecular Weight498.22 g/mol
Exact Mass498.06
IUPAC Name4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1)C(F)(F)F
InChIInChI=1S/C13H10F12N4O3/c14-10(15,16)5(11(17,18)19)31-8-26-7(29-1-3-30-4-2-29)27-9(28-8)32-6(12(20,21)22)13(23,24)25/h5-6H,1-4H2
InChIKeyGZCXLFVPSWPKDX-UHFFFAOYSA-N
XLogP3.45
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-(4-morpholinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
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
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
CID 11631268
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-4-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3,5-triazine
CID 1068865
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1113192
2-(4-Morpholinyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1227424
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507
(Methylpropyl){4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy](1,3,5-triazin-2-yl)}amine
CID 3094637
N-methyl-N-{4-(4-morpholinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amine
CID 3435092
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N,N-dimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 3942683

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine (CID 549986) is 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine is FC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1)C(F)(F)F.
What is the InChIKey of 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is GZCXLFVPSWPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F12N4O3/c14-10(15,16)5(11(17,18)19)31-8-26-7(29-1-3-30-4-2-29)27-9(28-8)32-6(12(20,21)22)13(23,24)25/h5-6H,1-4H2.
What are the key properties of 4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine?
4-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 498.22 g/mol, XLogP of 3.45, 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(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 549986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).