1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol

C15H25F6O5P — CID 23417059

About 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol (PubChem CID 23417059) has the molecular formula C15H25F6O5P and a molecular weight of 430.32 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol
• PubChem CID: 23417059
• Molecular Formula: C15H25F6O5P
• Molecular Weight: 430.32 g/mol
• Exact Mass: 430.13
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol
• SMILES: CC1(C)OP2(C(O)(C(F)(F)F)C(F)(F)F)(OC1(C)C)OC(C)(C)C(C)(C)O2
• InChI: InChI=1S/C15H25F6O5P/c1-9(2)10(3,4)24-27(23-9,25-11(5,6)12(7,8)26-27)13(22,14(16,17)18)15(19,20)21/h22H,1-8H3
• InChIKey: MAFMCMWEAMOAHU-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.32
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol (CID 23417059) is 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol is CC1(C)OP2(C(O)(C(F)(F)F)C(F)(F)F)(OC1(C)C)OC(C)(C)C(C)(C)O2.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol?

The InChIKey is MAFMCMWEAMOAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F6O5P/c1-9(2)10(3,4)24-27(23-9,25-11(5,6)12(7,8)26-27)13(22,14(16,17)18)15(19,20)21/h22H,1-8H3.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol has a molecular weight of 430.32 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol is sourced from PubChem (CID 23417059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).