2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine

C12H3F18N3O3 — CID 2827226

IUPAC2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C12H3F18N3O3/c13-7(14,15)1(8(16,17)18)34-4-31-5(35-2(9(19,20)21)10(22,23)24)33-6(32-4)36-3(11(25,26)27)12(28,29)30/h1-3H
InChIKeyQYJXLOJGVNOMNT-UHFFFAOYSA-N
MW579.14 g/mol
LogP5.49
Rot. Bonds6

About 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine

2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 2827226) has the molecular formula C12H3F18N3O3 and a molecular weight of 579.14 g/mol. Its IUPAC name is 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID2827226
Molecular FormulaC12H3F18N3O3
Molecular Weight579.14 g/mol
Exact Mass578.99
IUPAC Name2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C12H3F18N3O3/c13-7(14,15)1(8(16,17)18)34-4-31-5(35-2(9(19,20)21)10(22,23)24)33-6(32-4)36-3(11(25,26)27)12(28,29)30/h1-3H
InChIKeyQYJXLOJGVNOMNT-UHFFFAOYSA-N
XLogP5.49
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.14
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
2,4,6-Tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 3091708
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
2,4,6-Tris[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethoxy]-1,3,5-triazine
CID 91741108
N-[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethylethoxy)-[1,3,5]triazin-2-yl]hydroxylamine
CID 5086209
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
2-Chloro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
CID 154244004
2,4-Difluoro-6-propan-2-yloxy-1,3,5-triazine
CID 20034770
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410
2,4-Dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242005
2-Chloro-4,6-bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242006
2-Chloro-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242007

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (CID 2827226) is 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is QYJXLOJGVNOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F18N3O3/c13-7(14,15)1(8(16,17)18)34-4-31-5(35-2(9(19,20)21)10(22,23)24)33-6(32-4)36-3(11(25,26)27)12(28,29)30/h1-3H.
What are the key properties of 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 579.14 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 2827226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).