2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide

C15H16F14N2O2 — CID 3089717

About 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide (PubChem CID 3089717) has the molecular formula C15H16F14N2O2 and a molecular weight of 522.28 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
• PubChem CID: 3089717
• Molecular Formula: C15H16F14N2O2
• Molecular Weight: 522.28 g/mol
• Exact Mass: 522.10
• IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
• SMILES: O=C(NCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C15H16F14N2O2/c16-10(17,12(20,21)14(24,25)26)8(32)30-6-4-2-1-3-5-7-31-9(33)11(18,19)13(22,23)15(27,28)29/h1-7H2,(H,30,32)(H,31,33)
• InChIKey: KZLPNNQSMROFMJ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.28
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide?

The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide (CID 3089717) is 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide.

What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide?

The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide is O=C(NCCCCCCCNC(=O)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 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide?

The InChIKey is KZLPNNQSMROFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F14N2O2/c16-10(17,12(20,21)14(24,25)26)8(32)30-6-4-2-1-3-5-7-31-9(33)11(18,19)13(22,23)15(27,28)29/h1-7H2,(H,30,32)(H,31,33).

What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide?

2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide has a molecular weight of 522.28 g/mol, XLogP of 4.84, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide is sourced from PubChem (CID 3089717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).