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2,2,4,4-Tetrachloro-6,6-bis(2,2,3,3-tetrafluoropropoxy)-1,3,5,2,4,6-triazatriphosphorine

HCID 47685
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
65601-40-3
Standard SMILES
FC(F)C(F)(F)COP1(OCC(F)(F)C(F)F)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1
InChIKey
JQRBITIMVNAILE-UHFFFAOYSA-N
Molecular formula
C6H6Cl4F8N3O2P3
Average molar mass
538.8 g/mol
Monoisotopic mass
536.829924

Names & identifiers

Preferred name
2,2,4,4-Tetrachloro-6,6-bis(2,2,3,3-tetrafluoropropoxy)-1,3,5,2,4,6-triazatriphosphorine
IUPAC
2,2,4,4-tetrachloro-6,6-bis(2,2,3,3-tetrafluoropropoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

Names & synonyms

65601-40-3DTXSID209841762,2,4,4-Tetrachloro-6,6-bis(2,2,3,3-tetrafluoropropoxy)-1,3,5,2,4,6-triazatriphosphorine1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4-tetrachloro-2,2,4,4,6,6-hexahydro-6,6-bis(2,2,3,3-tetraflouropropoxy)-2,2-Bis(2,2,3,3-tetrafluoropropoxy)-4,4,6,6-tetrachlorocyclotriphosphazene1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4-tetrachloro-2,2,4,4,6,6-hexahydro-6,6-bis(2,2,3,3-tetrafluoropropoxy)-2,2,4,4-Tetrachloro-6,6-bis(2,2,3,3-tetrafluoropropoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

Database identifiers

CAS
65601-40-3
PubChem CID
47685
DTXSID
DTXSID20984176
Nikkaji
J1.624.514C

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
55.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
13
Rotatable bonds
8
Heavy atoms
26
Formal charge
0
Complexity
635

Related reactions

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Compound notes

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