ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane

C17H13BFNO — CID 11543665

IUPACethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane
SMILESC=CB(Oc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H13BFNO/c1-2-18(14-8-4-9-15(19)12-14)21-16-10-3-6-13-7-5-11-20-17(13)16/h2-12H,1H2
InChIKeySFWMDIFLSZPOKW-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.38
Rot. Bonds4

About ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane

ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane (PubChem CID 11543665) has the molecular formula C17H13BFNO and a molecular weight of 277.11 g/mol. Its IUPAC name is ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane.

Molecular Properties

Compound Nameethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane
PubChem CID11543665
Molecular FormulaC17H13BFNO
Molecular Weight277.11 g/mol
Exact Mass277.11
IUPAC Nameethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane
SMILESC=CB(Oc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H13BFNO/c1-2-18(14-8-4-9-15(19)12-14)21-16-10-3-6-13-7-5-11-20-17(13)16/h2-12H,1H2
InChIKeySFWMDIFLSZPOKW-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane 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 ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane?
The IUPAC name of ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane (CID 11543665) is ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane.
What is the SMILES notation for ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane?
The canonical SMILES for ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane is C=CB(Oc1cccc2cccnc12)c1cccc(F)c1.
What is the InChIKey of ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane?
The InChIKey is SFWMDIFLSZPOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BFNO/c1-2-18(14-8-4-9-15(19)12-14)21-16-10-3-6-13-7-5-11-20-17(13)16/h2-12H,1H2.
What are the key properties of ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane?
ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane has a molecular weight of 277.11 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(3-fluorophenyl)-quinolin-8-yloxyborane is sourced from PubChem (CID 11543665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).