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

C3H3F9N6O3P6 — CID 129015273

IUPAC2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=NP(F)(C=O)=N1
InChIInChI=1S/C3H3F9N6O3P6/c4-22(1-19)13-23(5,2-20)15-25(7,8)17-27(11,12)18-26(9,10)16-24(6,3-21)14-22/h1-3H
InChIKeyNQSRFMHONKMIEJ-UHFFFAOYSA-N
MW527.92 g/mol
LogP9.23
Rot. Bonds3

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

2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde (PubChem CID 129015273) has the molecular formula C3H3F9N6O3P6 and a molecular weight of 527.92 g/mol. Its IUPAC name is 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde.

Molecular Properties

Compound Name2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde
PubChem CID129015273
Molecular FormulaC3H3F9N6O3P6
Molecular Weight527.92 g/mol
Exact Mass527.85
IUPAC Name2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=NP(F)(C=O)=N1
InChIInChI=1S/C3H3F9N6O3P6/c4-22(1-19)13-23(5,2-20)15-25(7,8)17-27(11,12)18-26(9,10)16-24(6,3-21)14-22/h1-3H
InChIKeyNQSRFMHONKMIEJ-UHFFFAOYSA-N
XLogP9.23
TPSA125.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.92
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde?
The IUPAC name of 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde (CID 129015273) is 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde.
What is the SMILES notation for 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde?
The canonical SMILES for 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde is O=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=NP(F)(C=O)=N1.
What is the InChIKey of 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde?
The InChIKey is NQSRFMHONKMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F9N6O3P6/c4-22(1-19)13-23(5,2-20)15-25(7,8)17-27(11,12)18-26(9,10)16-24(6,3-21)14-22/h1-3H.
What are the key properties of 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde?
2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde has a molecular weight of 527.92 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde is sourced from PubChem (CID 129015273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).