2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C6H14F6N4O2P4 — CID 59283678

IUPAC2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1
InChIInChI=1S/C6H14F6N4O2P4/c1-3-5-17-21(11)14-19(7,8)13-20(9,10)15-22(12,16-21)18-6-4-2/h3-6H2,1-2H3
InChIKeyCZUSWZSNPYALRE-UHFFFAOYSA-N
MW412.09 g/mol
LogP8.45
Rot. Bonds6

About 2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 59283678) has the molecular formula C6H14F6N4O2P4 and a molecular weight of 412.09 g/mol. Its IUPAC name is 2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-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-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
PubChem CID59283678
Molecular FormulaC6H14F6N4O2P4
Molecular Weight412.09 g/mol
Exact Mass412.00
IUPAC Name2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1
InChIInChI=1S/C6H14F6N4O2P4/c1-3-5-17-21(11)14-19(7,8)13-20(9,10)15-22(12,16-21)18-6-4-2/h3-6H2,1-2H3
InChIKeyCZUSWZSNPYALRE-UHFFFAOYSA-N
XLogP8.45
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.09
LogP ≤ 58.45
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-dipropoxy-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-dipropoxy-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-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 59283678) is 2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-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-dipropoxy-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-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is CCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1.
What is the InChIKey of 2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The InChIKey is CZUSWZSNPYALRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F6N4O2P4/c1-3-5-17-21(11)14-19(7,8)13-20(9,10)15-22(12,16-21)18-6-4-2/h3-6H2,1-2H3.
What are the key properties of 2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 412.09 g/mol, XLogP of 8.45, 6 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-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 59283678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).