2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C7H9F13N4O3P4 — CID 89089975

IUPAC2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCP1(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C7H9F13N4O3P4/c1-28(17)21-29(18,25-2-5(8,9)10)23-31(20,27-4-7(14,15)16)24-30(19,22-28)26-3-6(11,12)13/h2-4H2,1H3
InChIKeyCLKUPSVSTSCUGP-UHFFFAOYSA-N
MW568.04 g/mol
LogP9.11
Rot. Bonds6

About 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 89089975) has the molecular formula C7H9F13N4O3P4 and a molecular weight of 568.04 g/mol. Its IUPAC name is 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
PubChem CID89089975
Molecular FormulaC7H9F13N4O3P4
Molecular Weight568.04 g/mol
Exact Mass567.94
IUPAC Name2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCP1(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C7H9F13N4O3P4/c1-28(17)21-29(18,25-2-5(8,9)10)23-31(20,27-4-7(14,15)16)24-30(19,22-28)26-3-6(11,12)13/h2-4H2,1H3
InChIKeyCLKUPSVSTSCUGP-UHFFFAOYSA-N
XLogP9.11
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.04
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene 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 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The IUPAC name of 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 89089975) is 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.
What is the SMILES notation for 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The canonical SMILES for 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is CP1(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1.
What is the InChIKey of 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The InChIKey is CLKUPSVSTSCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F13N4O3P4/c1-28(17)21-29(18,25-2-5(8,9)10)23-31(20,27-4-7(14,15)16)24-30(19,22-28)26-3-6(11,12)13/h2-4H2,1H3.
What are the key properties of 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 568.04 g/mol, XLogP of 9.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetrafluoro-2-methyl-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 89089975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).