1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane

C18H23F10N3O6 — CID 158376177

About 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane

1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane (PubChem CID 158376177) has the molecular formula C18H23F10N3O6 and a molecular weight of 567.38 g/mol. Its IUPAC name is 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane.

Molecular Properties

• Compound Name: 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane
• PubChem CID: 158376177
• Molecular Formula: C18H23F10N3O6
• Molecular Weight: 567.38 g/mol
• Exact Mass: 567.14
• IUPAC Name: 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane
• SMILES: C.C.CC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O
• InChI: InChI=1S/C16H15F10N3O6.2CH4/c1-12(17,18)14(21,22)16(25,26)35-15(23,24)13(19,20)6-29-10(31)27(2-7-4-33-7)9(30)28(11(29)32)3-8-5-34-8;;/h7-8H,2-6H2,1H3;2*1H4
• InChIKey: GVFMYRMGQDXRIZ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 100.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.38
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane?

The IUPAC name of 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane (CID 158376177) is 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane.

What is the SMILES notation for 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane?

The canonical SMILES for 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane is C.C.CC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cn1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O.

What is the InChIKey of 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane?

The InChIKey is GVFMYRMGQDXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F10N3O6.2CH4/c1-12(17,18)14(21,22)16(25,26)35-15(23,24)13(19,20)6-29-10(31)27(2-7-4-33-7)9(30)28(11(29)32)3-8-5-34-8;;/h7-8H,2-6H2,1H3;2*1H4.

What are the key properties of 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane?

1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane has a molecular weight of 567.38 g/mol, XLogP of 2.37, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(oxiran-2-ylmethyl)-5-[2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)propyl]-1,3,5-triazinane-2,4,6-trione;methane is sourced from PubChem (CID 158376177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).