1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole

C8H6FNO — CID 123287760

IUPAC1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole
SMILESFC1C2Oc3ccccc3N12
InChIInChI=1S/C8H6FNO/c9-7-8-10(7)5-3-1-2-4-6(5)11-8/h1-4,7-8H
InChIKeySYAFZYVPOZRLKT-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.52
Rot. Bonds

About 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole

1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole (PubChem CID 123287760) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole
PubChem CID123287760
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole
SMILESFC1C2Oc3ccccc3N12
InChIInChI=1S/C8H6FNO/c9-7-8-10(7)5-3-1-2-4-6(5)11-8/h1-4,7-8H
InChIKeySYAFZYVPOZRLKT-UHFFFAOYSA-N
XLogP1.52
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole?
The IUPAC name of 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole (CID 123287760) is 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole is FC1C2Oc3ccccc3N12.
What is the InChIKey of 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole?
The InChIKey is SYAFZYVPOZRLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-7-8-10(7)5-3-1-2-4-6(5)11-8/h1-4,7-8H.
What are the key properties of 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole?
1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole has a molecular weight of 151.14 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,1a-dihydroazirino[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 123287760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).