2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

C4H4F16N6O2P6 — CID 59283684

IUPAC2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
SMILESFC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C4H4F16N6O2P6/c5-3(6,7)1-27-33(19)24-31(15,16)22-29(11,12)21-30(13,14)23-32(17,18)25-34(20,26-33)28-2-4(8,9)10/h1-2H2
InChIKeySGYKSPWDVXTSGX-UHFFFAOYSA-N
MW657.93 g/mol
LogP12.53
Rot. Bonds4

About 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283684) has the molecular formula C4H4F16N6O2P6 and a molecular weight of 657.93 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
PubChem CID59283684
Molecular FormulaC4H4F16N6O2P6
Molecular Weight657.93 g/mol
Exact Mass657.86
IUPAC Name2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
SMILESFC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C4H4F16N6O2P6/c5-3(6,7)1-27-33(19)24-31(15,16)22-29(11,12)21-30(13,14)23-32(17,18)25-34(20,26-33)28-2-4(8,9)10/h1-2H2
InChIKeySGYKSPWDVXTSGX-UHFFFAOYSA-N
XLogP12.53
TPSA92.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.93
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283684) is 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is FC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=N1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The InChIKey is SGYKSPWDVXTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F16N6O2P6/c5-3(6,7)1-27-33(19)24-31(15,16)22-29(11,12)21-30(13,14)23-32(17,18)25-34(20,26-33)28-2-4(8,9)10/h1-2H2.
What are the key properties of 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene has a molecular weight of 657.93 g/mol, XLogP of 12.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,12-decafluoro-10,12-bis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 59283684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).