bis(4-fluorophenyl)-methoxyborane

C13H11BF2O — CID 23358739

IUPACbis(4-fluorophenyl)-methoxyborane
SMILESCOB(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H11BF2O/c1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3
InChIKeyLVMYLZPZMQUNDH-UHFFFAOYSA-N
MW232.04 g/mol
LogP1.72
Rot. Bonds3

About bis(4-fluorophenyl)-methoxyborane

bis(4-fluorophenyl)-methoxyborane (PubChem CID 23358739) has the molecular formula C13H11BF2O and a molecular weight of 232.04 g/mol. Its IUPAC name is bis(4-fluorophenyl)-methoxyborane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-methoxyborane
PubChem CID23358739
Molecular FormulaC13H11BF2O
Molecular Weight232.04 g/mol
Exact Mass232.09
IUPAC Namebis(4-fluorophenyl)-methoxyborane
SMILESCOB(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H11BF2O/c1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3
InChIKeyLVMYLZPZMQUNDH-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 51.72
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 bis(4-fluorophenyl)-methoxyborane?
The IUPAC name of bis(4-fluorophenyl)-methoxyborane (CID 23358739) is bis(4-fluorophenyl)-methoxyborane.
What is the SMILES notation for bis(4-fluorophenyl)-methoxyborane?
The canonical SMILES for bis(4-fluorophenyl)-methoxyborane is COB(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-methoxyborane?
The InChIKey is LVMYLZPZMQUNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF2O/c1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3.
What are the key properties of bis(4-fluorophenyl)-methoxyborane?
bis(4-fluorophenyl)-methoxyborane has a molecular weight of 232.04 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-methoxyborane is sourced from PubChem (CID 23358739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).