2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane

C14H15BFNO — CID 71660073

IUPAC2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
SMILESFc1ccc([B-]2(c3ccccc3)[NH2+]CCO2)cc1
InChIInChI=1S/C14H15BFNO/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11,17H2
InChIKeyNASNXTXDDDFDIG-UHFFFAOYSA-N
MW243.09 g/mol
LogP-0.02
Rot. Bonds2

About 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane

2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane (PubChem CID 71660073) has the molecular formula C14H15BFNO and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
PubChem CID71660073
Molecular FormulaC14H15BFNO
Molecular Weight243.09 g/mol
Exact Mass243.12
IUPAC Name2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
SMILESFc1ccc([B-]2(c3ccccc3)[NH2+]CCO2)cc1
InChIInChI=1S/C14H15BFNO/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11,17H2
InChIKeyNASNXTXDDDFDIG-UHFFFAOYSA-N
XLogP-0.02
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane?
The IUPAC name of 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane (CID 71660073) is 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane.
What is the SMILES notation for 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane?
The canonical SMILES for 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane is Fc1ccc([B-]2(c3ccccc3)[NH2+]CCO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane?
The InChIKey is NASNXTXDDDFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BFNO/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11,17H2.
What are the key properties of 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane?
2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane has a molecular weight of 243.09 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane is sourced from PubChem (CID 71660073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).