2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide

C15H14F13NO — CID 59782698

About 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide

2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide (PubChem CID 59782698) has the molecular formula C15H14F13NO and a molecular weight of 471.26 g/mol. Its IUPAC name is 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide.

Molecular Properties

• Compound Name: 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide
• PubChem CID: 59782698
• Molecular Formula: C15H14F13NO
• Molecular Weight: 471.26 g/mol
• Exact Mass: 471.09
• IUPAC Name: 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide
• SMILES: C=C(C)C(=O)/N=C/CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C15H14F13NO/c1-8(2)9(30)29-7-5-3-4-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7H,1,3-6H2,2H3/b29-7+
• InChIKey: YZMCHUBAARKRSI-HBRQFSJYSA-N
• XLogP: 6.46
• TPSA: 29.43 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.26
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide?

The IUPAC name of 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide (CID 59782698) is 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide.

What is the SMILES notation for 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide?

The canonical SMILES for 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide is C=C(C)C(=O)/N=C/CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide?

The InChIKey is YZMCHUBAARKRSI-HBRQFSJYSA-N. The full InChI is InChI=1S/C15H14F13NO/c1-8(2)9(30)29-7-5-3-4-6-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7H,1,3-6H2,2H3/b29-7+.

What are the key properties of 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide?

2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide has a molecular weight of 471.26 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylidene)prop-2-enamide is sourced from PubChem (CID 59782698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).