1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium

C11H3F23N+ — CID 22348860

About 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium

1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium (PubChem CID 22348860) has the molecular formula C11H3F23N+ and a molecular weight of 586.11 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium
• PubChem CID: 22348860
• Molecular Formula: C11H3F23N+
• Molecular Weight: 586.11 g/mol
• Exact Mass: 585.99
• IUPAC Name: 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium
• SMILES: [NH3+]C(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C11H2F23N/c12-1(13,2(14,15)4(18,19)7(24,25)10(29,30)31)3(16,17)5(20,21)9(28,35)6(22,23)8(26,27)11(32,33)34/h35H2/p+1
• InChIKey: JAQRALAIPYCPQC-UHFFFAOYSA-O
• XLogP: 6.10
• TPSA: 27.64 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.11
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium?

The IUPAC name of 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium (CID 22348860) is 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium.

What is the SMILES notation for 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium?

The canonical SMILES for 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium is [NH3+]C(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium?

The InChIKey is JAQRALAIPYCPQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H2F23N/c12-1(13,2(14,15)4(18,19)7(24,25)10(29,30)31)3(16,17)5(20,21)9(28,35)6(22,23)8(26,27)11(32,33)34/h35H2/p+1.

What are the key properties of 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium?

1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium has a molecular weight of 586.11 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-4-ylazanium is sourced from PubChem (CID 22348860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).