11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide

C15H10ClF20NO — CID 3515688

About 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide

11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide (PubChem CID 3515688) has the molecular formula C15H10ClF20NO and a molecular weight of 635.66 g/mol. Its IUPAC name is 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide.

Molecular Properties

• Compound Name: 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
• PubChem CID: 3515688
• Molecular Formula: C15H10ClF20NO
• Molecular Weight: 635.66 g/mol
• Exact Mass: 635.01
• IUPAC Name: 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
• SMILES: CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
• InChI: InChI=1S/C15H10ClF20NO/c1-3-37(4-2)5(38)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(16,35)36/h3-4H2,1-2H3
• InChIKey: QBTCQDHPUIAQEH-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.66
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?

The IUPAC name of 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide (CID 3515688) is 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide.

What is the SMILES notation for 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?

The canonical SMILES for 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide is CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.

What is the InChIKey of 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?

The InChIKey is QBTCQDHPUIAQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF20NO/c1-3-37(4-2)5(38)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(16,35)36/h3-4H2,1-2H3.

What are the key properties of 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide?

11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide has a molecular weight of 635.66 g/mol, XLogP of 7.40, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide is sourced from PubChem (CID 3515688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).