2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde

C2H2F10N6O2P6 — CID 129015276

IUPAC2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=N1
InChIInChI=1S/C2H2F10N6O2P6/c3-21(1-19)13-22(4,2-20)15-24(7,8)17-26(11,12)18-25(9,10)16-23(5,6)14-21/h1-2H
InChIKeyOHKJHEBOXQKZSL-UHFFFAOYSA-N
MW517.90 g/mol
LogP9.92
Rot. Bonds2

About 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde

2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde (PubChem CID 129015276) has the molecular formula C2H2F10N6O2P6 and a molecular weight of 517.90 g/mol. Its IUPAC name is 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde.

Molecular Properties

Compound Name2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde
PubChem CID129015276
Molecular FormulaC2H2F10N6O2P6
Molecular Weight517.90 g/mol
Exact Mass517.85
IUPAC Name2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=N1
InChIInChI=1S/C2H2F10N6O2P6/c3-21(1-19)13-22(4,2-20)15-24(7,8)17-26(11,12)18-25(9,10)16-23(5,6)14-21/h1-2H
InChIKeyOHKJHEBOXQKZSL-UHFFFAOYSA-N
XLogP9.92
TPSA108.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.90
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde?
The IUPAC name of 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde (CID 129015276) is 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde.
What is the SMILES notation for 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde?
The canonical SMILES for 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde is O=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=N1.
What is the InChIKey of 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde?
The InChIKey is OHKJHEBOXQKZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F10N6O2P6/c3-21(1-19)13-22(4,2-20)15-24(7,8)17-26(11,12)18-25(9,10)16-23(5,6)14-21/h1-2H.
What are the key properties of 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde?
2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde has a molecular weight of 517.90 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde is sourced from PubChem (CID 129015276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).