N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C19H12F26N2O2 — CID 3406940

About N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 3406940) has the molecular formula C19H12F26N2O2 and a molecular weight of 794.26 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

• Compound Name: N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
• PubChem CID: 3406940
• Molecular Formula: C19H12F26N2O2
• Molecular Weight: 794.26 g/mol
• Exact Mass: 794.05
• IUPAC Name: N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
• SMILES: CC(C)(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C19H12F26N2O2/c1-7(2,3-46-5(48)8(20,21)10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)42)4-47-6(49)9(22,23)11(26,27)13(30,31)15(34,35)17(38,39)19(43,44)45/h3-4H2,1-2H3,(H,46,48)(H,47,49)
• InChIKey: VCWXLWQSVFQOOJ-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.26
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?

The IUPAC name of N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 3406940) is N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

What is the SMILES notation for N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?

The canonical SMILES for N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is CC(C)(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?

The InChIKey is VCWXLWQSVFQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F26N2O2/c1-7(2,3-46-5(48)8(20,21)10(24,25)12(28,29)14(32,33)16(36,37)18(40,41)42)4-47-6(49)9(22,23)11(26,27)13(30,31)15(34,35)17(38,39)19(43,44)45/h3-4H2,1-2H3,(H,46,48)(H,47,49).

What are the key properties of N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?

N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 794.26 g/mol, XLogP of 7.72, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 3406940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).