2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine

C10H13BFNO — CID 24802588

IUPAC2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine
SMILESC=CB(OCCN)c1ccc(F)cc1
InChIInChI=1S/C10H13BFNO/c1-2-11(14-8-7-13)9-3-5-10(12)6-4-9/h2-6H,1,7-8,13H2
InChIKeyCQVUJSACNKSQNQ-UHFFFAOYSA-N
MW193.03 g/mol
LogP0.72
Rot. Bonds5

About 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine

2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine (PubChem CID 24802588) has the molecular formula C10H13BFNO and a molecular weight of 193.03 g/mol. Its IUPAC name is 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine.

Molecular Properties

Compound Name2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine
PubChem CID24802588
Molecular FormulaC10H13BFNO
Molecular Weight193.03 g/mol
Exact Mass193.11
IUPAC Name2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine
SMILESC=CB(OCCN)c1ccc(F)cc1
InChIInChI=1S/C10H13BFNO/c1-2-11(14-8-7-13)9-3-5-10(12)6-4-9/h2-6H,1,7-8,13H2
InChIKeyCQVUJSACNKSQNQ-UHFFFAOYSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine 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-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine?
The IUPAC name of 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine (CID 24802588) is 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine.
What is the SMILES notation for 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine?
The canonical SMILES for 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine is C=CB(OCCN)c1ccc(F)cc1.
What is the InChIKey of 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine?
The InChIKey is CQVUJSACNKSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFNO/c1-2-11(14-8-7-13)9-3-5-10(12)6-4-9/h2-6H,1,7-8,13H2.
What are the key properties of 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine?
2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine has a molecular weight of 193.03 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl-(4-fluorophenyl)boranyl]oxyethanamine is sourced from PubChem (CID 24802588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).