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

C2H6F7N5P4 — CID 118289398

IUPACN-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
SMILESCCNP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H6F7N5P4/c1-2-10-18(9)13-16(5,6)11-15(3,4)12-17(7,8)14-18/h10H,2H2,1H3
InChIKeyAGFLHIRFBATVLX-UHFFFAOYSA-N
MW356.99 g/mol
LogP7.18
Rot. Bonds2

About 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

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 (PubChem CID 118289398) has the molecular formula C2H6F7N5P4 and a molecular weight of 356.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID118289398
Molecular FormulaC2H6F7N5P4
Molecular Weight356.99 g/mol
Exact Mass356.95
IUPAC NameN-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
SMILESCCNP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H6F7N5P4/c1-2-10-18(9)13-16(5,6)11-15(3,4)12-17(7,8)14-18/h10H,2H2,1H3
InChIKeyAGFLHIRFBATVLX-UHFFFAOYSA-N
XLogP7.18
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.99
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 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?
The InChIKey is AGFLHIRFBATVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6F7N5P4/c1-2-10-18(9)13-16(5,6)11-15(3,4)12-17(7,8)14-18/h10H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 356.99 g/mol, XLogP of 7.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118289398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).