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

C6H10F3N3O2 — CID 102514805

IUPAC2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
SMILES[N-]=[N+]=NCCOCCOCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)5-14-4-3-13-2-1-11-12-10/h1-5H2
InChIKeyHSRLFQUDMWNYCB-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.89
Rot. Bonds7

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 Name2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
PubChem CID102514805
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
SMILES[N-]=[N+]=NCCOCCOCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)5-14-4-3-13-2-1-11-12-10/h1-5H2
InChIKeyHSRLFQUDMWNYCB-UHFFFAOYSA-N
XLogP1.89
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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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).