N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine

C28H58FNO — CID 91475328

About N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine

N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine (PubChem CID 91475328) has the molecular formula C28H58FNO and a molecular weight of 443.78 g/mol. Its IUPAC name is N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine.

Molecular Properties

• Compound Name: N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
• PubChem CID: 91475328
• Molecular Formula: C28H58FNO
• Molecular Weight: 443.78 g/mol
• Exact Mass: 443.45
• IUPAC Name: N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
• SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)CCOCCF
• InChI: InChI=1S/C28H58FNO/c1-3-5-7-9-11-13-15-17-19-21-24-30(26-28-31-27-23-29)25-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
• InChIKey: ITFFCEFGUCIALO-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 27
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.78
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine?

The IUPAC name of N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine (CID 91475328) is N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine.

What is the SMILES notation for N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine?

The canonical SMILES for N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine is CCCCCCCCCCCCN(CCCCCCCCCCCC)CCOCCF.

What is the InChIKey of N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine?

The InChIKey is ITFFCEFGUCIALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58FNO/c1-3-5-7-9-11-13-15-17-19-21-24-30(26-28-31-27-23-29)25-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3.

What are the key properties of N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine?

N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine has a molecular weight of 443.78 g/mol, XLogP of 9.12, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine is sourced from PubChem (CID 91475328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).