2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene

C5H6F7N5P4 — CID 5256132

IUPAC2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCn1cccc1P1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C5H6F7N5P4/c1-17-4-2-3-5(17)18(6)13-19(7,8)15-21(11,12)16-20(9,10)14-18/h2-4H,1H3
InChIKeyZPUIHVRYUASDLQ-UHFFFAOYSA-N
MW393.02 g/mol
LogP7.32
Rot. Bonds1

About 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene

2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 5256132) has the molecular formula C5H6F7N5P4 and a molecular weight of 393.02 g/mol. Its IUPAC name is 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
PubChem CID5256132
Molecular FormulaC5H6F7N5P4
Molecular Weight393.02 g/mol
Exact Mass392.95
IUPAC Name2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESCn1cccc1P1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C5H6F7N5P4/c1-17-4-2-3-5(17)18(6)13-19(7,8)15-21(11,12)16-20(9,10)14-18/h2-4H,1H3
InChIKeyZPUIHVRYUASDLQ-UHFFFAOYSA-N
XLogP7.32
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.02
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?
The IUPAC name of 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 5256132) is 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene.
What is the SMILES notation for 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?
The canonical SMILES for 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene is Cn1cccc1P1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?
The InChIKey is ZPUIHVRYUASDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F7N5P4/c1-17-4-2-3-5(17)18(6)13-19(7,8)15-21(11,12)16-20(9,10)14-18/h2-4H,1H3.
What are the key properties of 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene?
2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 393.02 g/mol, XLogP of 7.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8-heptafluoro-8-(1-methylpyrrol-2-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 5256132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).