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

C12H3F18N3O3 — CID 87242027

IUPAC2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)C(F)(Oc1nc(OC(F)(C(F)F)C(F)(F)F)nc(OC(F)(C(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C12H3F18N3O3/c13-1(14)7(19,10(22,23)24)34-4-31-5(35-8(20,2(15)16)11(25,26)27)33-6(32-4)36-9(21,3(17)18)12(28,29)30/h1-3H
InChIKeyBDJJRKODUMFKTG-UHFFFAOYSA-N
MW579.14 g/mol
LogP5.49
Rot. Bonds9

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

2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 87242027) has the molecular formula C12H3F18N3O3 and a molecular weight of 579.14 g/mol. Its IUPAC name is 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID87242027
Molecular FormulaC12H3F18N3O3
Molecular Weight579.14 g/mol
Exact Mass578.99
IUPAC Name2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)C(F)(Oc1nc(OC(F)(C(F)F)C(F)(F)F)nc(OC(F)(C(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C12H3F18N3O3/c13-1(14)7(19,10(22,23)24)34-4-31-5(35-8(20,2(15)16)11(25,26)27)33-6(32-4)36-9(21,3(17)18)12(28,29)30/h1-3H
InChIKeyBDJJRKODUMFKTG-UHFFFAOYSA-N
XLogP5.49
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
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
2,4,6-Tris[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethoxy]-1,3,5-triazine
CID 91741108
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
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2,4-Dichloro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242004
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
2,4-Bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242028
2-Butoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 117711198
2,4-Difluoro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 171774630

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (CID 87242027) is 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)C(F)(Oc1nc(OC(F)(C(F)F)C(F)(F)F)nc(OC(F)(C(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is BDJJRKODUMFKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F18N3O3/c13-1(14)7(19,10(22,23)24)34-4-31-5(35-8(20,2(15)16)11(25,26)27)33-6(32-4)36-9(21,3(17)18)12(28,29)30/h1-3H.
What are the key properties of 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 579.14 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 87242027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).