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

C12H9F12N3O3 — CID 2832098

IUPAC2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESFC(F)C(F)(F)COc1nc(OCC(F)(F)C(F)F)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C12H9F12N3O3/c13-4(14)10(19,20)1-28-7-25-8(29-2-11(21,22)5(15)16)27-9(26-7)30-3-12(23,24)6(17)18/h4-6H,1-3H2
InChIKeyMIQGZOPQTAIUTN-UHFFFAOYSA-N
MW471.20 g/mol
LogP3.71
Rot. Bonds12

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

2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (PubChem CID 2832098) has the molecular formula C12H9F12N3O3 and a molecular weight of 471.20 g/mol. Its IUPAC name is 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
PubChem CID2832098
Molecular FormulaC12H9F12N3O3
Molecular Weight471.20 g/mol
Exact Mass471.05
IUPAC Name2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
SMILESFC(F)C(F)(F)COc1nc(OCC(F)(F)C(F)F)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C12H9F12N3O3/c13-4(14)10(19,20)1-28-7-25-8(29-2-11(21,22)5(15)16)27-9(26-7)30-3-12(23,24)6(17)18/h4-6H,1-3H2
InChIKeyMIQGZOPQTAIUTN-UHFFFAOYSA-N
XLogP3.71
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine (CID 2832098) is 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is FC(F)C(F)(F)COc1nc(OCC(F)(F)C(F)F)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
The InChIKey is MIQGZOPQTAIUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F12N3O3/c13-4(14)10(19,20)1-28-7-25-8(29-2-11(21,22)5(15)16)27-9(26-7)30-3-12(23,24)6(17)18/h4-6H,1-3H2.
What are the key properties of 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine?
2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine has a molecular weight of 471.20 g/mol, XLogP of 3.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 2832098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).