2-(2-azidoethoxy)ethyl hypofluorite

C4H8FN3O2 — CID 126578945

IUPAC2-(2-azidoethoxy)ethyl hypofluorite
SMILES[N-]=[N+]=NCCOCCOF
InChIInChI=1S/C4H8FN3O2/c5-10-4-3-9-2-1-7-8-6/h1-4H2
InChIKeyMXWJZJQPIYCTIM-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.21
Rot. Bonds6

About 2-(2-azidoethoxy)ethyl hypofluorite

2-(2-azidoethoxy)ethyl hypofluorite (PubChem CID 126578945) has the molecular formula C4H8FN3O2 and a molecular weight of 149.12 g/mol. Its IUPAC name is 2-(2-azidoethoxy)ethyl hypofluorite.

Molecular Properties

Compound Name2-(2-azidoethoxy)ethyl hypofluorite
PubChem CID126578945
Molecular FormulaC4H8FN3O2
Molecular Weight149.12 g/mol
Exact Mass149.06
IUPAC Name2-(2-azidoethoxy)ethyl hypofluorite
SMILES[N-]=[N+]=NCCOCCOF
InChIInChI=1S/C4H8FN3O2/c5-10-4-3-9-2-1-7-8-6/h1-4H2
InChIKeyMXWJZJQPIYCTIM-UHFFFAOYSA-N
XLogP1.21
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.21
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-azidoethoxy)ethyl hypofluorite?
The IUPAC name of 2-(2-azidoethoxy)ethyl hypofluorite (CID 126578945) is 2-(2-azidoethoxy)ethyl hypofluorite.
What is the SMILES notation for 2-(2-azidoethoxy)ethyl hypofluorite?
The canonical SMILES for 2-(2-azidoethoxy)ethyl hypofluorite is [N-]=[N+]=NCCOCCOF.
What is the InChIKey of 2-(2-azidoethoxy)ethyl hypofluorite?
The InChIKey is MXWJZJQPIYCTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3O2/c5-10-4-3-9-2-1-7-8-6/h1-4H2.
What are the key properties of 2-(2-azidoethoxy)ethyl hypofluorite?
2-(2-azidoethoxy)ethyl hypofluorite has a molecular weight of 149.12 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)ethyl hypofluorite is sourced from PubChem (CID 126578945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).