2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde

CHF7N4OP4 — CID 129015265

IUPAC2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/CHF7N4OP4/c2-14(1-13)9-15(3,4)11-17(7,8)12-16(5,6)10-14/h1H
InChIKeyIXRDFBYPVOSUBH-UHFFFAOYSA-N
MW341.93 g/mol
LogP6.85
Rot. Bonds1

About 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde

2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde (PubChem CID 129015265) has the molecular formula CHF7N4OP4 and a molecular weight of 341.93 g/mol. Its IUPAC name is 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde.

Molecular Properties

Compound Name2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde
PubChem CID129015265
Molecular FormulaCHF7N4OP4
Molecular Weight341.93 g/mol
Exact Mass341.90
IUPAC Name2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde
SMILESO=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/CHF7N4OP4/c2-14(1-13)9-15(3,4)11-17(7,8)12-16(5,6)10-14/h1H
InChIKeyIXRDFBYPVOSUBH-UHFFFAOYSA-N
XLogP6.85
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.93
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde?
The IUPAC name of 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde (CID 129015265) is 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde.
What is the SMILES notation for 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde?
The canonical SMILES for 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde is O=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde?
The InChIKey is IXRDFBYPVOSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF7N4OP4/c2-14(1-13)9-15(3,4)11-17(7,8)12-16(5,6)10-14/h1H.
What are the key properties of 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde?
2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde has a molecular weight of 341.93 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2-carbaldehyde is sourced from PubChem (CID 129015265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).