2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C4H4F10N3P3 — CID 163835950

IUPAC2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESFC(F)(F)CP1(F)=NP(F)(F)=NP(F)(CC(F)(F)F)=N1
InChIInChI=1S/C4H4F10N3P3/c5-3(6,7)1-18(11)15-19(12,2-4(8,9)10)17-20(13,14)16-18/h1-2H2
InChIKeyOHTBCFNQWFKCOD-UHFFFAOYSA-N
MW377.00 g/mol
LogP7.01
Rot. Bonds2

About 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 163835950) has the molecular formula C4H4F10N3P3 and a molecular weight of 377.00 g/mol. Its IUPAC name is 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID163835950
Molecular FormulaC4H4F10N3P3
Molecular Weight377.00 g/mol
Exact Mass376.95
IUPAC Name2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESFC(F)(F)CP1(F)=NP(F)(F)=NP(F)(CC(F)(F)F)=N1
InChIInChI=1S/C4H4F10N3P3/c5-3(6,7)1-18(11)15-19(12,2-4(8,9)10)17-20(13,14)16-18/h1-2H2
InChIKeyOHTBCFNQWFKCOD-UHFFFAOYSA-N
XLogP7.01
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.00
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 163835950) is 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is FC(F)(F)CP1(F)=NP(F)(F)=NP(F)(CC(F)(F)F)=N1.
What is the InChIKey of 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is OHTBCFNQWFKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F10N3P3/c5-3(6,7)1-18(11)15-19(12,2-4(8,9)10)17-20(13,14)16-18/h1-2H2.
What are the key properties of 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 377.00 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetrafluoro-4,6-bis(2,2,2-trifluoroethyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 163835950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).