2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane

C6H10F3N3O2 — CID 102514805

About 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane

2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane (PubChem CID 102514805) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane.

Molecular Properties

• Compound Name: 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
• PubChem CID: 102514805
• Molecular Formula: C6H10F3N3O2
• Molecular Weight: 213.16 g/mol
• Exact Mass: 213.07
• IUPAC Name: 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
• SMILES: [N-]=[N+]=NCCOCCOCC(F)(F)F
• InChI: InChI=1S/C6H10F3N3O2/c7-6(8,9)5-14-4-3-13-2-1-11-12-10/h1-5H2
• InChIKey: HSRLFQUDMWNYCB-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 67.22 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.16
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane?

The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane (CID 102514805) is 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane.

What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane?

The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane is [N-]=[N+]=NCCOCCOCC(F)(F)F.

What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane?

The InChIKey is HSRLFQUDMWNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c7-6(8,9)5-14-4-3-13-2-1-11-12-10/h1-5H2.

What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane?

2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane has a molecular weight of 213.16 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 102514805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).