[2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl

C8H6BF2O — CID 69337151

IUPAC—
SMILESO[B]C=Cc1cc(F)cc(F)c1
InChIInChI=1S/C8H6BF2O/c10-7-3-6(1-2-9-12)4-8(11)5-7/h1-5,12H
InChIKeyUAUOXNQIWWCHNH-UHFFFAOYSA-N
MW166.94 g/mol
LogP1.55
Rot. Bonds2

About [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl

[2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl (PubChem CID 69337151) has the molecular formula C8H6BF2O and a molecular weight of 166.94 g/mol.

Molecular Properties

Compound Name[2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl
PubChem CID69337151
Molecular FormulaC8H6BF2O
Molecular Weight166.94 g/mol
Exact Mass167.05
IUPAC Name—
SMILESO[B]C=Cc1cc(F)cc(F)c1
InChIInChI=1S/C8H6BF2O/c10-7-3-6(1-2-9-12)4-8(11)5-7/h1-5,12H
InChIKeyUAUOXNQIWWCHNH-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.94
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl?
The IUPAC name of [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl (CID 69337151) is not available.
What is the SMILES notation for [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl?
The canonical SMILES for [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl is O[B]C=Cc1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl?
The InChIKey is UAUOXNQIWWCHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BF2O/c10-7-3-6(1-2-9-12)4-8(11)5-7/h1-5,12H.
What are the key properties of [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl?
[2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl has a molecular weight of 166.94 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl is sourced from PubChem (CID 69337151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).