2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

C10H5F10N3O2 — CID 170375426

IUPAC2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)c1nc(OCC2CO2)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H5F10N3O2/c11-7(12,9(15,16)17)4-21-5(8(13,14)10(18,19)20)23-6(22-4)25-2-3-1-24-3/h3H,1-2H2
InChIKeyRWPHBUDJLOQZNS-UHFFFAOYSA-N
MW389.15 g/mol
LogP2.96
Rot. Bonds5

About 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (PubChem CID 170375426) has the molecular formula C10H5F10N3O2 and a molecular weight of 389.15 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
PubChem CID170375426
Molecular FormulaC10H5F10N3O2
Molecular Weight389.15 g/mol
Exact Mass389.02
IUPAC Name2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)c1nc(OCC2CO2)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H5F10N3O2/c11-7(12,9(15,16)17)4-21-5(8(13,14)10(18,19)20)23-6(22-4)25-2-3-1-24-3/h3H,1-2H2
InChIKeyRWPHBUDJLOQZNS-UHFFFAOYSA-N
XLogP2.96
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.15
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (CID 170375426) is 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is FC(F)(F)C(F)(F)c1nc(OCC2CO2)nc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The InChIKey is RWPHBUDJLOQZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F10N3O2/c11-7(12,9(15,16)17)4-21-5(8(13,14)10(18,19)20)23-6(22-4)25-2-3-1-24-3/h3H,1-2H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine has a molecular weight of 389.15 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 170375426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).