(1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride

C12F25NO — CID 10032179

About (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride

(1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride (PubChem CID 10032179) has the molecular formula C12F25NO and a molecular weight of 649.09 g/mol. Its IUPAC name is (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride.

Molecular Properties

• Compound Name: (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride
• PubChem CID: 10032179
• Molecular Formula: C12F25NO
• Molecular Weight: 649.09 g/mol
• Exact Mass: 648.96
• IUPAC Name: (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride
• SMILES: F/C(=N\OC(F)(F)C(F)(F)C(F)(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)F
• InChI: InChI=1S/C12F25NO/c13-1(2(14,15)3(16,17)4(18,19)7(24,25)10(30,31)32)38-39-12(36,37)9(28,29)6(22,23)5(20,21)8(26,27)11(33,34)35/b38-1-
• InChIKey: HMMYUQKVJOEWQL-HLQXBTSDSA-N
• XLogP: 8.09
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.09
LogP ≤ 5	8.09
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)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride?

The IUPAC name of (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride (CID 10032179) is (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride.

What is the SMILES notation for (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride?

The canonical SMILES for (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride is F/C(=N\OC(F)(F)C(F)(F)C(F)(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)F.

What is the InChIKey of (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride?

The InChIKey is HMMYUQKVJOEWQL-HLQXBTSDSA-N. The full InChI is InChI=1S/C12F25NO/c13-1(2(14,15)3(16,17)4(18,19)7(24,25)10(30,31)32)38-39-12(36,37)9(28,29)6(22,23)5(20,21)8(26,27)11(33,34)35/b38-1-.

What are the key properties of (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride?

(1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride has a molecular weight of 649.09 g/mol, XLogP of 8.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)hexanimidoyl fluoride is sourced from PubChem (CID 10032179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).