1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine

C14H11BFN — CID 162409563

IUPAC1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine
SMILESFc1ccc(C2=CC=CN3C=CC=CB23)cc1
InChIInChI=1S/C14H11BFN/c16-13-7-5-12(6-8-13)14-4-3-11-17-10-2-1-9-15(14)17/h1-11H
InChIKeyKVDPGPPXKXSYEI-UHFFFAOYSA-N
MW223.06 g/mol
LogP3.19
Rot. Bonds1

About 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine

1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine (PubChem CID 162409563) has the molecular formula C14H11BFN and a molecular weight of 223.06 g/mol. Its IUPAC name is 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine.

Molecular Properties

Compound Name1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine
PubChem CID162409563
Molecular FormulaC14H11BFN
Molecular Weight223.06 g/mol
Exact Mass223.10
IUPAC Name1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine
SMILESFc1ccc(C2=CC=CN3C=CC=CB23)cc1
InChIInChI=1S/C14H11BFN/c16-13-7-5-12(6-8-13)14-4-3-11-17-10-2-1-9-15(14)17/h1-11H
InChIKeyKVDPGPPXKXSYEI-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine?
The IUPAC name of 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine (CID 162409563) is 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine.
What is the SMILES notation for 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine?
The canonical SMILES for 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine is Fc1ccc(C2=CC=CN3C=CC=CB23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine?
The InChIKey is KVDPGPPXKXSYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BFN/c16-13-7-5-12(6-8-13)14-4-3-11-17-10-2-1-9-15(14)17/h1-11H.
What are the key properties of 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine?
1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine has a molecular weight of 223.06 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)azaborinino[1,2-a]azaborinine is sourced from PubChem (CID 162409563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).