2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C3H9F3N3O3P3 — CID 59283695

IUPAC2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCOP1(F)=NP(F)(OC)=NP(F)(OC)=N1
InChIInChI=1S/C3H9F3N3O3P3/c1-10-13(4)7-14(5,11-2)9-15(6,8-13)12-3/h1-3H3
InChIKeyOTGLHXHGYXYZOX-UHFFFAOYSA-N
MW285.04 g/mol
LogP4.69
Rot. Bonds3

About 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 59283695) has the molecular formula C3H9F3N3O3P3 and a molecular weight of 285.04 g/mol. Its IUPAC name is 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID59283695
Molecular FormulaC3H9F3N3O3P3
Molecular Weight285.04 g/mol
Exact Mass284.98
IUPAC Name2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCOP1(F)=NP(F)(OC)=NP(F)(OC)=N1
InChIInChI=1S/C3H9F3N3O3P3/c1-10-13(4)7-14(5,11-2)9-15(6,8-13)12-3/h1-3H3
InChIKeyOTGLHXHGYXYZOX-UHFFFAOYSA-N
XLogP4.69
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.04
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 59283695) is 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is COP1(F)=NP(F)(OC)=NP(F)(OC)=N1.
What is the InChIKey of 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is OTGLHXHGYXYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9F3N3O3P3/c1-10-13(4)7-14(5,11-2)9-15(6,8-13)12-3/h1-3H3.
What are the key properties of 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 285.04 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 59283695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).