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

C9H3F12N3O2 — CID 87242029

IUPAC2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H3F12N3O2/c10-6(11,12)2(7(13,14)15)25-4-22-1-23-5(24-4)26-3(8(16,17)18)9(19,20)21/h1-3H
InChIKeyPYEJJOANPYGOTJ-UHFFFAOYSA-N
MW413.12 g/mol
LogP3.62
Rot. Bonds4

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

2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (PubChem CID 87242029) has the molecular formula C9H3F12N3O2 and a molecular weight of 413.12 g/mol. Its IUPAC name is 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
PubChem CID87242029
Molecular FormulaC9H3F12N3O2
Molecular Weight413.12 g/mol
Exact Mass413.00
IUPAC Name2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
SMILESFC(F)(F)C(Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H3F12N3O2/c10-6(11,12)2(7(13,14)15)25-4-22-1-23-5(24-4)26-3(8(16,17)18)9(19,20)21/h1-3H
InChIKeyPYEJJOANPYGOTJ-UHFFFAOYSA-N
XLogP3.62
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2-(2,2,2-Trifluoroethoxy)-1,3,5-triazine
CID 54257945
2-Methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 54318512
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-(1,1,1,2,3,3-Hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242129
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242130
2-(2,2,3-Trifluoropropoxy)-1,3,5-triazine
CID 118039304
2-(2,2,3,3-Tetrafluorobutoxy)-1,3,5-triazine
CID 118039406
2,4-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 140260488
2-Chloro-4-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 174579383
2-(1,1,3,3,3-Pentafluoropropoxy)-1,3,5-triazine
CID 175948118

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine (CID 87242029) is 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is FC(F)(F)C(Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
The InChIKey is PYEJJOANPYGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F12N3O2/c10-6(11,12)2(7(13,14)15)25-4-22-1-23-5(24-4)26-3(8(16,17)18)9(19,20)21/h1-3H.
What are the key properties of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine?
2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine has a molecular weight of 413.12 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 87242029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).