2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene

C5H4Cl4F6N3O2P3 — CID 101450293

IUPAC2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene
SMILESFC1(F)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OCC(F)(F)C1(F)F
InChIInChI=1S/C5H4Cl4F6N3O2P3/c6-21(7)16-22(8,9)18-23(17-21)19-1-3(10,11)5(14,15)4(12,13)2-20-23/h1-2H2
InChIKeyUNZGAGDKEFFYPX-UHFFFAOYSA-N
MW486.83 g/mol
LogP7.75
Rot. Bonds

About 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene

2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene (PubChem CID 101450293) has the molecular formula C5H4Cl4F6N3O2P3 and a molecular weight of 486.83 g/mol. Its IUPAC name is 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene.

Molecular Properties

Compound Name2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene
PubChem CID101450293
Molecular FormulaC5H4Cl4F6N3O2P3
Molecular Weight486.83 g/mol
Exact Mass484.82
IUPAC Name2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene
SMILESFC1(F)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OCC(F)(F)C1(F)F
InChIInChI=1S/C5H4Cl4F6N3O2P3/c6-21(7)16-22(8,9)18-23(17-21)19-1-3(10,11)5(14,15)4(12,13)2-20-23/h1-2H2
InChIKeyUNZGAGDKEFFYPX-UHFFFAOYSA-N
XLogP7.75
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.83
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene?
The IUPAC name of 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene (CID 101450293) is 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene.
What is the SMILES notation for 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene?
The canonical SMILES for 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene is FC1(F)COP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)OCC(F)(F)C1(F)F.
What is the InChIKey of 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene?
The InChIKey is UNZGAGDKEFFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl4F6N3O2P3/c6-21(7)16-22(8,9)18-23(17-21)19-1-3(10,11)5(14,15)4(12,13)2-20-23/h1-2H2.
What are the key properties of 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene?
2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene has a molecular weight of 486.83 g/mol, XLogP of 7.75, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrachloro-9,9,10,10,11,11-hexafluoro-7,13-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.7]trideca-1(6),2,4-triene is sourced from PubChem (CID 101450293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).