(2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium

C9H21F5N4P3+ — CID 132534630

IUPAC(2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium
SMILESCCC[N+](CCC)(CCC)P1(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C9H21F5N4P3/c1-4-7-18(8-5-2,9-6-3)21(14)16-19(10,11)15-20(12,13)17-21/h4-9H2,1-3H3/q+1
InChIKeyLEKSQSWDAONCFO-UHFFFAOYSA-N
MW373.21 g/mol
LogP7.73
Rot. Bonds7

About (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium

(2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium (PubChem CID 132534630) has the molecular formula C9H21F5N4P3+ and a molecular weight of 373.21 g/mol. Its IUPAC name is (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium.

Molecular Properties

Compound Name(2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium
PubChem CID132534630
Molecular FormulaC9H21F5N4P3+
Molecular Weight373.21 g/mol
Exact Mass373.09
IUPAC Name(2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium
SMILESCCC[N+](CCC)(CCC)P1(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C9H21F5N4P3/c1-4-7-18(8-5-2,9-6-3)21(14)16-19(10,11)15-20(12,13)17-21/h4-9H2,1-3H3/q+1
InChIKeyLEKSQSWDAONCFO-UHFFFAOYSA-N
XLogP7.73
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.21
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium with MolForge

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Related Compounds

2,2,4,4,6,8-hexafluoro-6,8-dipropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 59283678
N-ethyl-2,4,4,6,6,8,8-heptafluoro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine
CID 118289398
bis(tetrapropylazanium);bis(tribromo(fluoro)methane);diiodide
CID 139199729
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
hydroxymethyl(tripropyl)azanium
CID 54406855
antimony(3+);tetrapropylazanium
CID 18954503
2,2,4,4,6,6,8,8-octapropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 140868253
fluoroform;trimethyl(propyl)azanium
CID 87248213
2,2,4,4,6-pentafluoro-6-prop-1-en-2-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 100994539
2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 172721027
butane;sulfane
CID 162203569
manganese;oxygen(2-);tetrapropylazanium
CID 159090995

Frequently Asked Questions

What is the IUPAC name of (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium?
The IUPAC name of (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium (CID 132534630) is (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium.
What is the SMILES notation for (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium?
The canonical SMILES for (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium is CCC[N+](CCC)(CCC)P1(F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium?
The InChIKey is LEKSQSWDAONCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21F5N4P3/c1-4-7-18(8-5-2,9-6-3)21(14)16-19(10,11)15-20(12,13)17-21/h4-9H2,1-3H3/q+1.
What are the key properties of (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium?
(2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium has a molecular weight of 373.21 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4,6,6-pentafluoro-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-tripropylazanium is sourced from PubChem (CID 132534630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).