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

C3H3F7N5O3P5 — CID 129015270

IUPAC2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=NP(F)(C=O)=N1
InChIInChI=1S/C3H3F7N5O3P5/c4-19(1-16)11-20(5,2-17)13-22(7,8)15-23(9,10)14-21(6,3-18)12-19/h1-3H
InChIKeyQQKWEZXVICSSME-UHFFFAOYSA-N
MW444.95 g/mol
LogP7.34
Rot. Bonds3

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

2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde (PubChem CID 129015270) has the molecular formula C3H3F7N5O3P5 and a molecular weight of 444.95 g/mol. Its IUPAC name is 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde.

Molecular Properties

Compound Name2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde
PubChem CID129015270
Molecular FormulaC3H3F7N5O3P5
Molecular Weight444.95 g/mol
Exact Mass444.88
IUPAC Name2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(C=O)=NP(F)(C=O)=N1
InChIInChI=1S/C3H3F7N5O3P5/c4-19(1-16)11-20(5,2-17)13-22(7,8)15-23(9,10)14-21(6,3-18)12-19/h1-3H
InChIKeyQQKWEZXVICSSME-UHFFFAOYSA-N
XLogP7.34
TPSA113.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.95
LogP ≤ 57.34
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 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-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-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde?
The IUPAC name of 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde (CID 129015270) is 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde.
What is the SMILES notation for 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde?
The canonical SMILES for 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde is O=CP1(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-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde?
The InChIKey is QQKWEZXVICSSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F7N5O3P5/c4-19(1-16)11-20(5,2-17)13-22(7,8)15-23(9,10)14-21(6,3-18)12-19/h1-3H.
What are the key properties of 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde?
2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde has a molecular weight of 444.95 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene-2,4,6-tricarbaldehyde is sourced from PubChem (CID 129015270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).