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

C7H17F7N5O3P5 — CID 89080944

IUPAC2,2,4,4,6,8,10-heptafluoro-6-methoxy-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)(OC)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1
InChIInChI=1S/C7H17F7N5O3P5/c1-4-6-21-26(13)17-24(10,11)15-23(8,9)16-25(12,20-3)18-27(14,19-26)22-7-5-2/h4-7H2,1-3H3
InChIKeyKCRIZKPQNNVGLD-UHFFFAOYSA-N
MW507.10 g/mol
LogP10.02
Rot. Bonds7

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

2,2,4,4,6,8,10-heptafluoro-6-methoxy-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 89080944) has the molecular formula C7H17F7N5O3P5 and a molecular weight of 507.10 g/mol. Its IUPAC name is 2,2,4,4,6,8,10-heptafluoro-6-methoxy-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name2,2,4,4,6,8,10-heptafluoro-6-methoxy-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
PubChem CID89080944
Molecular FormulaC7H17F7N5O3P5
Molecular Weight507.10 g/mol
Exact Mass506.99
IUPAC Name2,2,4,4,6,8,10-heptafluoro-6-methoxy-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)(OC)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1
InChIInChI=1S/C7H17F7N5O3P5/c1-4-6-21-26(13)17-24(10,11)15-23(8,9)16-25(12,20-3)18-27(14,19-26)22-7-5-2/h4-7H2,1-3H3
InChIKeyKCRIZKPQNNVGLD-UHFFFAOYSA-N
XLogP10.02
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.10
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,8,10-heptafluoro-6-methoxy-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 2,2,4,4,6,8,10-heptafluoro-6-methoxy-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 2,2,4,4,6,8,10-heptafluoro-6-methoxy-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 89080944) is 2,2,4,4,6,8,10-heptafluoro-6-methoxy-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 2,2,4,4,6,8,10-heptafluoro-6-methoxy-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 2,2,4,4,6,8,10-heptafluoro-6-methoxy-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)(OC)=NP(F)(F)=NP(F)(F)=NP(F)(OCCC)=N1.
What is the InChIKey of 2,2,4,4,6,8,10-heptafluoro-6-methoxy-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is KCRIZKPQNNVGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F7N5O3P5/c1-4-6-21-26(13)17-24(10,11)15-23(8,9)16-25(12,20-3)18-27(14,19-26)22-7-5-2/h4-7H2,1-3H3.
What are the key properties of 2,2,4,4,6,8,10-heptafluoro-6-methoxy-8,10-dipropoxy-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
2,2,4,4,6,8,10-heptafluoro-6-methoxy-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 507.10 g/mol, XLogP of 10.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,8,10-heptafluoro-6-methoxy-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 89080944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).