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

C2H2F6N4O2P4 — CID 129015266

IUPAC2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=N1
InChIInChI=1S/C2H2F6N4O2P4/c3-15(1-13)9-16(4,2-14)11-18(7,8)12-17(5,6)10-15/h1-2H
InChIKeyAXOWVDBTFKAMSU-UHFFFAOYSA-N
MW351.95 g/mol
LogP6.15
Rot. Bonds2

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

2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde (PubChem CID 129015266) has the molecular formula C2H2F6N4O2P4 and a molecular weight of 351.95 g/mol. Its IUPAC name is 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde.

Molecular Properties

Compound Name2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde
PubChem CID129015266
Molecular FormulaC2H2F6N4O2P4
Molecular Weight351.95 g/mol
Exact Mass351.90
IUPAC Name2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=N1
InChIInChI=1S/C2H2F6N4O2P4/c3-15(1-13)9-16(4,2-14)11-18(7,8)12-17(5,6)10-15/h1-2H
InChIKeyAXOWVDBTFKAMSU-UHFFFAOYSA-N
XLogP6.15
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.95
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2,4,4,6,6,8,8-Heptafluoro-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde
CID 129015265
2,4,6,8,8-Pentafluoro-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4,6-tricarbaldehyde
CID 129015267
2,4,6,6,8,8,10,10-Octafluoro-1,3,5,7,9-pentaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4-dicarbaldehyde
CID 129015269
2,4,6,8,8,10,10-Heptafluoro-1,3,5,7,9-pentaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde
CID 129015270
2,4,6,8,8,10,10,12,12-Nonafluoro-1,3,5,7,9,11-hexaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4,6-tricarbaldehyde
CID 129015273
2,4,4,6,6,8,8,10,10,12,12-Undecafluoro-1,3,5,7,9,11-hexaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde
CID 129015275
2,4,6,6,8,8,10,10,12,12-Decafluoro-1,3,5,7,9,11-hexaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2,4-dicarbaldehyde
CID 129015276

Frequently Asked Questions

What is the IUPAC name of 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde?
The IUPAC name of 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde (CID 129015266) is 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde.
What is the SMILES notation for 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde?
The canonical SMILES for 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde is O=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=N1.
What is the InChIKey of 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde?
The InChIKey is AXOWVDBTFKAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F6N4O2P4/c3-15(1-13)9-16(4,2-14)11-18(7,8)12-17(5,6)10-15/h1-2H.
What are the key properties of 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde?
2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde has a molecular weight of 351.95 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,6,8,8-hexafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-dicarbaldehyde is sourced from PubChem (CID 129015266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).