2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

CH3F5N3O2P3S — CID 172721027

IUPAC2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCS(=O)(=O)P1(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/CH3F5N3O2P3S/c1-15(10,11)14(6)8-12(2,3)7-13(4,5)9-14/h1H3
InChIKeyGNAHTEHTOQIOOA-UHFFFAOYSA-N
MW309.03 g/mol
LogP4.73
Rot. Bonds1

About 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 172721027) has the molecular formula CH3F5N3O2P3S and a molecular weight of 309.03 g/mol. Its IUPAC name is 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID172721027
Molecular FormulaCH3F5N3O2P3S
Molecular Weight309.03 g/mol
Exact Mass308.91
IUPAC Name2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCS(=O)(=O)P1(F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/CH3F5N3O2P3S/c1-15(10,11)14(6)8-12(2,3)7-13(4,5)9-14/h1H3
InChIKeyGNAHTEHTOQIOOA-UHFFFAOYSA-N
XLogP4.73
TPSA71.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.03
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 172721027) is 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is CS(=O)(=O)P1(F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is GNAHTEHTOQIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F5N3O2P3S/c1-15(10,11)14(6)8-12(2,3)7-13(4,5)9-14/h1H3.
What are the key properties of 2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,2,4,4,6-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 309.03 g/mol, XLogP of 4.73, 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-pentafluoro-6-methylsulfonyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 172721027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).