2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C2H6F4N3O2P3 — CID 172840891

IUPAC2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCOP1(OC)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H6F4N3O2P3/c1-10-14(11-2)8-12(3,4)7-13(5,6)9-14/h1-2H3
InChIKeyWTWVYVFXHDVDAD-UHFFFAOYSA-N
MW273.00 g/mol
LogP5.01
Rot. Bonds2

About 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 172840891) has the molecular formula C2H6F4N3O2P3 and a molecular weight of 273.00 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID172840891
Molecular FormulaC2H6F4N3O2P3
Molecular Weight273.00 g/mol
Exact Mass272.96
IUPAC Name2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCOP1(OC)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H6F4N3O2P3/c1-10-14(11-2)8-12(3,4)7-13(5,6)9-14/h1-2H3
InChIKeyWTWVYVFXHDVDAD-UHFFFAOYSA-N
XLogP5.01
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.00
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,6-Tetrafluoro-4,6-dimethoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 59283620
2,4,6-Trifluoro-2,4,6-trimethoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 59283695
2,2,4,5-Tetrafluoro-1,6-dimethoxy-1,3,5-triaza-2lambda5,4,6-triphosphacyclohex-2-ene
CID 67387218
1,5,6-Trifluoro-2,2,4-trimethoxy-1,3,5-triaza-2lambda5,4,6-triphosphacyclohex-2-ene
CID 70143445
2,2,4,6-Tetrafluoro-4-methoxy-6-methyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-2,4,6-triene
CID 89398348
1,4,5,6-Tetrafluoro-2,2-dimethoxy-1,3,5-triaza-2lambda5,4,6-triphosphacyclohex-2-ene
CID 170161191
2,2,4,6-Tetrafluoro-4,6-dimethoxy-1,3,5-triaza-4lambda5-phospha-2,6-diphosphoniacyclohex-3-ene
CID 175201603

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 172840891) is 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is COP1(OC)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is WTWVYVFXHDVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6F4N3O2P3/c1-10-14(11-2)8-12(3,4)7-13(5,6)9-14/h1-2H3.
What are the key properties of 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 273.00 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-6,6-dimethoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 172840891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).