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

C2H8F4N3O2P3+2 — CID 175201603

IUPAC2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene
SMILESCOP1(F)=N[P+](F)(F)N[P+](F)(OC)N1
InChIInChI=1S/C2H8F4N3O2P3/c1-10-13(5)7-12(3,4)8-14(6,9-13)11-2/h7,9H,1-2H3/q+2
InChIKeyMOKVUBRUCGYDIY-UHFFFAOYSA-N
MW275.02 g/mol
LogP3.65
Rot. Bonds2

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

2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene (PubChem CID 175201603) has the molecular formula C2H8F4N3O2P3+2 and a molecular weight of 275.02 g/mol. Its IUPAC name is 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene.

Molecular Properties

Compound Name2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene
PubChem CID175201603
Molecular FormulaC2H8F4N3O2P3+2
Molecular Weight275.02 g/mol
Exact Mass274.98
IUPAC Name2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene
SMILESCOP1(F)=N[P+](F)(F)N[P+](F)(OC)N1
InChIInChI=1S/C2H8F4N3O2P3/c1-10-13(5)7-12(3,4)8-14(6,9-13)11-2/h7,9H,1-2H3/q+2
InChIKeyMOKVUBRUCGYDIY-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.02
LogP ≤ 53.65
H-Bond Donors ≤ 52
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 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene?
The IUPAC name of 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene (CID 175201603) is 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene.
What is the SMILES notation for 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene?
The canonical SMILES for 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene is COP1(F)=N[P+](F)(F)N[P+](F)(OC)N1.
What is the InChIKey of 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene?
The InChIKey is MOKVUBRUCGYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8F4N3O2P3/c1-10-13(5)7-12(3,4)8-14(6,9-13)11-2/h7,9H,1-2H3/q+2.
What are the key properties of 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene?
2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene has a molecular weight of 275.02 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene is sourced from PubChem (CID 175201603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).