7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran

C10H10FN3O2 — CID 11458733

IUPAC7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=NCCOc1cc(F)cc2c1OCC2
InChIInChI=1S/C10H10FN3O2/c11-8-5-7-1-3-16-10(7)9(6-8)15-4-2-13-14-12/h5-6H,1-4H2
InChIKeySMMAVSUOYJARMJ-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.45
Rot. Bonds4

About 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran

7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 11458733) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID11458733
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=NCCOc1cc(F)cc2c1OCC2
InChIInChI=1S/C10H10FN3O2/c11-8-5-7-1-3-16-10(7)9(6-8)15-4-2-13-14-12/h5-6H,1-4H2
InChIKeySMMAVSUOYJARMJ-UHFFFAOYSA-N
XLogP2.45
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.45
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 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran (CID 11458733) is 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran is [N-]=[N+]=NCCOc1cc(F)cc2c1OCC2.
What is the InChIKey of 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is SMMAVSUOYJARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-8-5-7-1-3-16-10(7)9(6-8)15-4-2-13-14-12/h5-6H,1-4H2.
What are the key properties of 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran?
7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 223.21 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-azidoethoxy)-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 11458733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).