2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene

C6H14F8N5O2P5 — CID 59283632

IUPAC2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
SMILESCCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1
InChIInChI=1S/C6H14F8N5O2P5/c1-3-5-20-25(13)17-23(9,10)15-22(7,8)16-24(11,12)18-26(14,19-25)21-6-4-2/h3-6H2,1-2H3
InChIKeyFZMDWKMXEZEGLI-UHFFFAOYSA-N
MW495.07 g/mol
LogP10.34
Rot. Bonds6

About 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene

2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 59283632) has the molecular formula C6H14F8N5O2P5 and a molecular weight of 495.07 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
PubChem CID59283632
Molecular FormulaC6H14F8N5O2P5
Molecular Weight495.07 g/mol
Exact Mass494.97
IUPAC Name2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
SMILESCCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1
InChIInChI=1S/C6H14F8N5O2P5/c1-3-5-20-25(13)17-23(9,10)15-22(7,8)16-24(11,12)18-26(14,19-25)21-6-4-2/h3-6H2,1-2H3
InChIKeyFZMDWKMXEZEGLI-UHFFFAOYSA-N
XLogP10.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.07
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 59283632) is 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is CCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1.
What is the InChIKey of 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is FZMDWKMXEZEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F8N5O2P5/c1-3-5-20-25(13)17-23(9,10)15-22(7,8)16-24(11,12)18-26(14,19-25)21-6-4-2/h3-6H2,1-2H3.
What are the key properties of 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene has a molecular weight of 495.07 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,10-octafluoro-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 59283632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).