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

C14H17F6N5O3 — CID 3942685

IUPAC4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C(Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(F)(F)F
InChIInChI=1S/C14H17F6N5O3/c15-13(16,17)9(14(18,19)20)28-12-22-10(24-1-5-26-6-2-24)21-11(23-12)25-3-7-27-8-4-25/h9H,1-8H2
InChIKeyRYKJTDHYJMSLST-UHFFFAOYSA-N
MW417.31 g/mol
LogP1.42
Rot. Bonds4

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

4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 3942685) has the molecular formula C14H17F6N5O3 and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID3942685
Molecular FormulaC14H17F6N5O3
Molecular Weight417.31 g/mol
Exact Mass417.12
IUPAC Name4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C(Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(F)(F)F
InChIInChI=1S/C14H17F6N5O3/c15-13(16,17)9(14(18,19)20)28-12-22-10(24-1-5-26-6-2-24)21-11(23-12)25-3-7-27-8-4-25/h9H,1-8H2
InChIKeyRYKJTDHYJMSLST-UHFFFAOYSA-N
XLogP1.42
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Acetonitrile, ((4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy)-
CID 644599
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
2-(Dimethylamino)-4,6-dimorpholino-1,3,5-triazine
CID 626291
6-Methoxy-2,4-dimorpholin-4-yl-1,3,5-triazine
CID 703118
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
N,N-Diethyl-4,6-di-4-morpholinyl-1,3,5-triazin-2-amine
CID 678231
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(4-morpholyl)-
CID 549986
2,6-Dimorpholin-4-yl-4-prop-2-ynyloxy-1,3,5-triazine
CID 8033775
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 3942685) is 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is FC(F)(F)C(Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(F)(F)F.
What is the InChIKey of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is RYKJTDHYJMSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N5O3/c15-13(16,17)9(14(18,19)20)28-12-22-10(24-1-5-26-6-2-24)21-11(23-12)25-3-7-27-8-4-25/h9H,1-8H2.
What are the key properties of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 417.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 3942685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).