1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene

C2H6F4N3O2P3 — CID 170161191

IUPAC1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
SMILESCOP1(OC)=NP(F)N(F)P(F)N1F
InChIInChI=1S/C2H6F4N3O2P3/c1-10-14(11-2)7-12(5)8(3)13(6)9(14)4/h1-2H3
InChIKeyPUHHLFCIOPMXOI-UHFFFAOYSA-N
MW273.00 g/mol
LogP4.00
Rot. Bonds2

About 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene

1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene (PubChem CID 170161191) has the molecular formula C2H6F4N3O2P3 and a molecular weight of 273.00 g/mol. Its IUPAC name is 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene.

Molecular Properties

Compound Name1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
PubChem CID170161191
Molecular FormulaC2H6F4N3O2P3
Molecular Weight273.00 g/mol
Exact Mass272.96
IUPAC Name1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
SMILESCOP1(OC)=NP(F)N(F)P(F)N1F
InChIInChI=1S/C2H6F4N3O2P3/c1-10-14(11-2)7-12(5)8(3)13(6)9(14)4/h1-2H3
InChIKeyPUHHLFCIOPMXOI-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.00
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
The IUPAC name of 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene (CID 170161191) is 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene.
What is the SMILES notation for 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
The canonical SMILES for 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene is COP1(OC)=NP(F)N(F)P(F)N1F.
What is the InChIKey of 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
The InChIKey is PUHHLFCIOPMXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6F4N3O2P3/c1-10-14(11-2)7-12(5)8(3)13(6)9(14)4/h1-2H3.
What are the key properties of 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene?
1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene has a molecular weight of 273.00 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene is sourced from PubChem (CID 170161191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).