2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene

C2H6F4N3OP3 — CID 89398348

IUPAC2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene
SMILESCOP1(F)=NP(C)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H6F4N3OP3/c1-10-13(6)8-11(2,3)7-12(4,5)9-13/h1-2H3
InChIKeyYEGPBIIPOCZDJJ-UHFFFAOYSA-N
MW257.00 g/mol
LogP5.08
Rot. Bonds1

About 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene

2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene (PubChem CID 89398348) has the molecular formula C2H6F4N3OP3 and a molecular weight of 257.00 g/mol. Its IUPAC name is 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene
PubChem CID89398348
Molecular FormulaC2H6F4N3OP3
Molecular Weight257.00 g/mol
Exact Mass256.97
IUPAC Name2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene
SMILESCOP1(F)=NP(C)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H6F4N3OP3/c1-10-13(6)8-11(2,3)7-12(4,5)9-13/h1-2H3
InChIKeyYEGPBIIPOCZDJJ-UHFFFAOYSA-N
XLogP5.08
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.00
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene?
The IUPAC name of 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene (CID 89398348) is 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene.
What is the SMILES notation for 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene?
The canonical SMILES for 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene is COP1(F)=NP(C)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene?
The InChIKey is YEGPBIIPOCZDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6F4N3OP3/c1-10-13(6)8-11(2,3)7-12(4,5)9-13/h1-2H3.
What are the key properties of 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene?
2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene has a molecular weight of 257.00 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene is sourced from PubChem (CID 89398348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).