(1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride

C8F17NO — CID 10321465

About (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride

(1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride (PubChem CID 10321465) has the molecular formula C8F17NO and a molecular weight of 449.06 g/mol. Its IUPAC name is (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride.

Molecular Properties

• Compound Name: (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride
• PubChem CID: 10321465
• Molecular Formula: C8F17NO
• Molecular Weight: 449.06 g/mol
• Exact Mass: 448.97
• IUPAC Name: (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride
• SMILES: F/C(=N\OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C8F17NO/c9-1(2(10,11)3(12,13)6(18,19)20)26-27-8(24,25)5(16,17)4(14,15)7(21,22)23/b26-1-
• InChIKey: VKKBJRRQUVWOGJ-CYPCERQJSA-N
• XLogP: 5.54
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.06
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride?

The IUPAC name of (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride (CID 10321465) is (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride.

What is the SMILES notation for (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride?

The canonical SMILES for (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride is F/C(=N\OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride?

The InChIKey is VKKBJRRQUVWOGJ-CYPCERQJSA-N. The full InChI is InChI=1S/C8F17NO/c9-1(2(10,11)3(12,13)6(18,19)20)26-27-8(24,25)5(16,17)4(14,15)7(21,22)23/b26-1-.

What are the key properties of (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride?

(1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride has a molecular weight of 449.06 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butanimidoyl fluoride is sourced from PubChem (CID 10321465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).