2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide

C14H16F15NO4Si — CID 15072327

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide (PubChem CID 15072327) has the molecular formula C14H16F15NO4Si and a molecular weight of 575.34 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide
• PubChem CID: 15072327
• Molecular Formula: C14H16F15NO4Si
• Molecular Weight: 575.34 g/mol
• Exact Mass: 575.06
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide
• SMILES: CO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
• InChI: InChI=1S/C14H16F15NO4Si/c1-32-35(33-2,34-3)6-4-5-30-7(31)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h4-6H2,1-3H3,(H,30,31)
• InChIKey: LIRVZIHBUKLVIQ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.34
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide (CID 15072327) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide is CO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide?

The InChIKey is LIRVZIHBUKLVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F15NO4Si/c1-32-35(33-2,34-3)6-4-5-30-7(31)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h4-6H2,1-3H3,(H,30,31).

What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide?

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide has a molecular weight of 575.34 g/mol, XLogP of 4.74, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-trimethoxysilylpropyl)octanamide is sourced from PubChem (CID 15072327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).