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

C12H6F15N3O3 — CID 12586979

IUPAC2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)COc1nc(OCC(F)(F)C(F)(F)F)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C12H6F15N3O3/c13-7(14,10(19,20)21)1-31-4-28-5(32-2-8(15,16)11(22,23)24)30-6(29-4)33-3-9(17,18)12(25,26)27/h1-3H2
InChIKeyWMCYYSQAHXZFSR-UHFFFAOYSA-N
MW525.17 g/mol
LogP4.60
Rot. Bonds9

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

2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine (PubChem CID 12586979) has the molecular formula C12H6F15N3O3 and a molecular weight of 525.17 g/mol. Its IUPAC name is 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
PubChem CID12586979
Molecular FormulaC12H6F15N3O3
Molecular Weight525.17 g/mol
Exact Mass525.02
IUPAC Name2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)COc1nc(OCC(F)(F)C(F)(F)F)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C12H6F15N3O3/c13-7(14,10(19,20)21)1-31-4-28-5(32-2-8(15,16)11(22,23)24)30-6(29-4)33-3-9(17,18)12(25,26)27/h1-3H2
InChIKeyWMCYYSQAHXZFSR-UHFFFAOYSA-N
XLogP4.60
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
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
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
2,4-Difluoro-6-propan-2-yloxy-1,3,5-triazine
CID 20034770
2,4-Difluoro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 20265325
2-Ethoxy-4,6-difluoro-1,3,5-triazine
CID 20403084
2-Butoxy-4,6-difluoro-1,3,5-triazine
CID 20403086

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine (CID 12586979) is 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine is FC(F)(F)C(F)(F)COc1nc(OCC(F)(F)C(F)(F)F)nc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The InChIKey is WMCYYSQAHXZFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F15N3O3/c13-7(14,10(19,20)21)1-31-4-28-5(32-2-8(15,16)11(22,23)24)30-6(29-4)33-3-9(17,18)12(25,26)27/h1-3H2.
What are the key properties of 2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
2,4,6-tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine has a molecular weight of 525.17 g/mol, XLogP of 4.60, 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(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 12586979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).