9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid

C29H39F3N2O9 — CID 172909790

About 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid (PubChem CID 172909790) has the molecular formula C29H39F3N2O9 and a molecular weight of 616.63 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
• PubChem CID: 172909790
• Molecular Formula: C29H39F3N2O9
• Molecular Weight: 616.63 g/mol
• Exact Mass: 616.26
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
• SMILES: NCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H38N2O7.C2HF3O2/c28-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-29-27(30)36-21-26-24-7-3-1-5-22(24)23-6-2-4-8-25(23)26;3-2(4,5)1(6)7/h1-8,26H,9-21,28H2,(H,29,30);(H,6,7)
• InChIKey: QAHRNLJDXQFXFO-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 147.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.63
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid (CID 172909790) is 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid is NCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21.O=C(O)C(F)(F)F.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid?

The InChIKey is QAHRNLJDXQFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O7.C2HF3O2/c28-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-29-27(30)36-21-26-24-7-3-1-5-22(24)23-6-2-4-8-25(23)26;3-2(4,5)1(6)7/h1-8,26H,9-21,28H2,(H,29,30);(H,6,7).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid?

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 616.63 g/mol, XLogP of 3.20, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172909790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).