1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane

C30H18F48N3O6P3 — CID 146014385

About 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane

1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane (PubChem CID 146014385) has the molecular formula C30H18F48N3O6P3 and a molecular weight of 1521.32 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane.

Molecular Properties

• Compound Name: 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane
• PubChem CID: 146014385
• Molecular Formula: C30H18F48N3O6P3
• Molecular Weight: 1521.32 g/mol
• Exact Mass: 1520.96
• IUPAC Name: 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane
• SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)CON1P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)P1OCC(F)(F)C(F)(F)C(F)(F)C(F)F
• InChI: InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-79-88(85-4-16(49,50)28(73,74)22(61,62)10(37)38)80(83-2-14(45,46)26(69,70)20(57,58)8(33)34)90(87-6-18(53,54)30(77,78)24(65,66)12(41)42)81(84-3-15(47,48)27(71,72)21(59,60)9(35)36)89(79)86-5-17(51,52)29(75,76)23(63,64)11(39)40/h7-12H,1-6H2
• InChIKey: RTSGVPIDVJTIGB-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 65.10 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 36
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1521.32
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane?

The IUPAC name of 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane (CID 146014385) is 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane.

What is the SMILES notation for 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane?

The canonical SMILES for 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane is FC(F)C(F)(F)C(F)(F)C(F)(F)CON1P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)P1OCC(F)(F)C(F)(F)C(F)(F)C(F)F.

What is the InChIKey of 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane?

The InChIKey is RTSGVPIDVJTIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-79-88(85-4-16(49,50)28(73,74)22(61,62)10(37)38)80(83-2-14(45,46)26(69,70)20(57,58)8(33)34)90(87-6-18(53,54)30(77,78)24(65,66)12(41)42)81(84-3-15(47,48)27(71,72)21(59,60)9(35)36)89(79)86-5-17(51,52)29(75,76)23(63,64)11(39)40/h7-12H,1-6H2.

What are the key properties of 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane?

1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane has a molecular weight of 1521.32 g/mol, XLogP of 17.46, 36 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5-octafluoropentoxy)-1,3,5,2,4,6-triazatriphosphinane is sourced from PubChem (CID 146014385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).