2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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

C10H14F18N6O4P6 — CID 89090015

IUPAC2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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
SMILESCP1(F)=NP(C)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C10H14F18N6O4P6/c1-39(23)29-40(2,24)31-42(26,36-4-8(14,15)16)33-44(28,38-6-10(20,21)22)34-43(27,37-5-9(17,18)19)32-41(25,30-39)35-3-7(11,12)13/h3-6H2,1-2H3
InChIKeyGZLDXHSIDXKTTR-UHFFFAOYSA-N
MW810.07 g/mol
LogP13.24
Rot. Bonds8

About 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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

2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 89090015) has the molecular formula C10H14F18N6O4P6 and a molecular weight of 810.07 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 Name2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 CID89090015
Molecular FormulaC10H14F18N6O4P6
Molecular Weight810.07 g/mol
Exact Mass809.92
IUPAC Name2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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
SMILESCP1(F)=NP(C)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C10H14F18N6O4P6/c1-39(23)29-40(2,24)31-42(26,36-4-8(14,15)16)33-44(28,38-6-10(20,21)22)34-43(27,37-5-9(17,18)19)32-41(25,30-39)35-3-7(11,12)13/h3-6H2,1-2H3
InChIKeyGZLDXHSIDXKTTR-UHFFFAOYSA-N
XLogP13.24
TPSA111.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.07
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 89090015) is 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 CP1(F)=NP(C)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1.
What is the InChIKey of 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 GZLDXHSIDXKTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F18N6O4P6/c1-39(23)29-40(2,24)31-42(26,36-4-8(14,15)16)33-44(28,38-6-10(20,21)22)34-43(27,37-5-9(17,18)19)32-41(25,30-39)35-3-7(11,12)13/h3-6H2,1-2H3.
What are the key properties of 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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?
2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 810.07 g/mol, XLogP of 13.24, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrakis(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 89090015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).