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2,4,4-Trichloro-2,6,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5,2,4,6-triazatriphosphorine

HCID 47686
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
65601-41-4
Standard SMILES
FC(F)C(F)(F)COP1(Cl)=NP(Cl)(Cl)=NP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)=N1
InChIKey
FIMDXPQLVCKQFL-UHFFFAOYSA-N
Molecular formula
C9H9Cl3F12N3O3P3
Average molar mass
634.4 g/mol
Monoisotopic mass
632.873073

Names & identifiers

Preferred name
2,4,4-Trichloro-2,6,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5,2,4,6-triazatriphosphorine
IUPAC
2,2,4-trichloro-4,6,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

Names & synonyms

65601-41-4DTXSID809841772,4,4-Trichloro-2,6,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5,2,4,6-triazatriphosphorine1,3,5,2,4,6-Triazatriphosphorine, 2,2,4-trichloro-2,2,4,4,6,6-hexahydro-4,6,6-tris(2,2,3,3-tetraflouropropoxy)-2,2,4-Tris(2,2,3,3-tetrafluoropropoxy)-4,6,6-trichlorocyclotriphosphazene1,3,5,2,4,6-Triazatriphosphorine, 2,2,4-trichloro-2,2,4,4,6,6-hexahydro-4,6,6-tris(2,2,3,3-tetrafluoropropoxy)-2,2,4-Trichloro-4,6,6-tris(2,2,3,3-tetrafluoropropoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

Database identifiers

CAS
65601-41-4
PubChem CID
47686
DTXSID
DTXSID80984177
Nikkaji
J1.621.450G

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
64.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
18
Rotatable bonds
12
Heavy atoms
33
Formal charge
0
Complexity
843

Related reactions

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Compound notes

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