2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C4H4F12N4O2P4 — CID 59283668

IUPAC2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESFC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C4H4F12N4O2P4/c5-3(6,7)1-21-25(15)18-23(11,12)17-24(13,14)19-26(16,20-25)22-2-4(8,9)10/h1-2H2
InChIKeyWPDRVHPFSOXENB-UHFFFAOYSA-N
MW491.97 g/mol
LogP8.76
Rot. Bonds4

About 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 59283668) has the molecular formula C4H4F12N4O2P4 and a molecular weight of 491.97 g/mol. Its IUPAC name is 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
PubChem CID59283668
Molecular FormulaC4H4F12N4O2P4
Molecular Weight491.97 g/mol
Exact Mass491.91
IUPAC Name2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESFC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C4H4F12N4O2P4/c5-3(6,7)1-21-25(15)18-23(11,12)17-24(13,14)19-26(16,20-25)22-2-4(8,9)10/h1-2H2
InChIKeyWPDRVHPFSOXENB-UHFFFAOYSA-N
XLogP8.76
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.97
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The IUPAC name of 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 59283668) is 2,2,4,4,6,8-hexafluoro-6,8-bis(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 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The canonical SMILES for 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is FC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1.
What is the InChIKey of 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The InChIKey is WPDRVHPFSOXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F12N4O2P4/c5-3(6,7)1-21-25(15)18-23(11,12)17-24(13,14)19-26(16,20-25)22-2-4(8,9)10/h1-2H2.
What are the key properties of 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 491.97 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,8-hexafluoro-6,8-bis(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 59283668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).