2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine

C15F27N3O3 — CID 91741108

IUPAC2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15F27N3O3/c16-7(17,18)4(8(19,20)21,9(22,23)24)46-1-43-2(47-5(10(25,26)27,11(28,29)30)12(31,32)33)45-3(44-1)48-6(13(34,35)36,14(37,38)39)15(40,41)42
InChIKeyQHMUXBRKQFOXEN-UHFFFAOYSA-N
MW783.13 g/mol
LogP8.29
Rot. Bonds6

About 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine

2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine (PubChem CID 91741108) has the molecular formula C15F27N3O3 and a molecular weight of 783.13 g/mol. Its IUPAC name is 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine
PubChem CID91741108
Molecular FormulaC15F27N3O3
Molecular Weight783.13 g/mol
Exact Mass782.95
IUPAC Name2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine
SMILESFC(F)(F)C(Oc1nc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15F27N3O3/c16-7(17,18)4(8(19,20)21,9(22,23)24)46-1-43-2(47-5(10(25,26)27,11(28,29)30)12(31,32)33)45-3(44-1)48-6(13(34,35)36,14(37,38)39)15(40,41)42
InChIKeyQHMUXBRKQFOXEN-UHFFFAOYSA-N
XLogP8.29
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.13
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine with MolForge

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Related Compounds

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-Chloro-4,6-bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242006
2,4,6-Tris(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242027
2,4,6-Tris(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-1,3,5-triazine
CID 154329026

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine (CID 91741108) is 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine is FC(F)(F)C(Oc1nc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine?
The InChIKey is QHMUXBRKQFOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F27N3O3/c16-7(17,18)4(8(19,20)21,9(22,23)24)46-1-43-2(47-5(10(25,26)27,11(28,29)30)12(31,32)33)45-3(44-1)48-6(13(34,35)36,14(37,38)39)15(40,41)42.
What are the key properties of 2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine?
2,4,6-tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine has a molecular weight of 783.13 g/mol, XLogP of 8.29, 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-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-1,3,5-triazine is sourced from PubChem (CID 91741108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).