2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine

C5H7F12N5OP4 — CID 138534942

IUPAC2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine
SMILESCN(C)P1(F)=NP(F)(OC(C(F)(F)F)C(F)(F)F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C5H7F12N5OP4/c1-22(2)26(16)19-24(12,13)18-25(14,15)20-27(17,21-26)23-3(4(6,7)8)5(9,10)11/h3H,1-2H3
InChIKeyGQSJPMIIPXYENC-UHFFFAOYSA-N
MW505.02 g/mol
LogP8.67
Rot. Bonds3

About 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine

2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine (PubChem CID 138534942) has the molecular formula C5H7F12N5OP4 and a molecular weight of 505.02 g/mol. Its IUPAC name is 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Name2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine
PubChem CID138534942
Molecular FormulaC5H7F12N5OP4
Molecular Weight505.02 g/mol
Exact Mass504.94
IUPAC Name2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine
SMILESCN(C)P1(F)=NP(F)(OC(C(F)(F)F)C(F)(F)F)=NP(F)(F)=NP(F)(F)=N1
InChIInChI=1S/C5H7F12N5OP4/c1-22(2)26(16)19-24(12,13)18-25(14,15)20-27(17,21-26)23-3(4(6,7)8)5(9,10)11/h3H,1-2H3
InChIKeyGQSJPMIIPXYENC-UHFFFAOYSA-N
XLogP8.67
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine with MolForge

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Related Compounds

2,4,4,6,8,8-hexafluoro-N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine
CID 117999490
2,4,4,6,6,8-hexafluoro-N,N-dimethyl-8-(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine
CID 138534944
2,4,4,6-tetrafluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-amine
CID 138534990

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine?
The IUPAC name of 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine (CID 138534942) is 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine?
The canonical SMILES for 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine is CN(C)P1(F)=NP(F)(OC(C(F)(F)F)C(F)(F)F)=NP(F)(F)=NP(F)(F)=N1.
What is the InChIKey of 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine?
The InChIKey is GQSJPMIIPXYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F12N5OP4/c1-22(2)26(16)19-24(12,13)18-25(14,15)20-27(17,21-26)23-3(4(6,7)8)5(9,10)11/h3H,1-2H3.
What are the key properties of 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine?
2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine has a molecular weight of 505.02 g/mol, XLogP of 8.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6,8-hexafluoro-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 138534942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).