fluorooxy-(3-methylphenyl)borinic acid

C7H8BFO2 — CID 141302935

IUPACfluorooxy-(3-methylphenyl)borinic acid
SMILESCc1cccc(B(O)OF)c1
InChIInChI=1S/C7H8BFO2/c1-6-3-2-4-7(5-6)8(10)11-9/h2-5,10H,1H3
InChIKeyCAZFJGYJVVFQRG-UHFFFAOYSA-N
MW153.95 g/mol
LogP0.58
Rot. Bonds2

About fluorooxy-(3-methylphenyl)borinic acid

fluorooxy-(3-methylphenyl)borinic acid (PubChem CID 141302935) has the molecular formula C7H8BFO2 and a molecular weight of 153.95 g/mol. Its IUPAC name is fluorooxy-(3-methylphenyl)borinic acid.

Molecular Properties

Compound Namefluorooxy-(3-methylphenyl)borinic acid
PubChem CID141302935
Molecular FormulaC7H8BFO2
Molecular Weight153.95 g/mol
Exact Mass154.06
IUPAC Namefluorooxy-(3-methylphenyl)borinic acid
SMILESCc1cccc(B(O)OF)c1
InChIInChI=1S/C7H8BFO2/c1-6-3-2-4-7(5-6)8(10)11-9/h2-5,10H,1H3
InChIKeyCAZFJGYJVVFQRG-UHFFFAOYSA-N
XLogP0.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.95
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aminooxy-(3-methylphenyl)borinic acid
CID 174117625
(3-methylphenyl)-diphenylborane
CID 145125944
(2,5-dimethylphenyl)-fluorooxyborinic acid
CID 174851737
dichloro-(3-methylphenyl)borane
CID 134904379
ethoxy-bis(3-methylphenyl)borane
CID 141274428
fluorooxy-(6-methyl-3-pyridinyl)borinic acid
CID 174939931
ethane;methanol;1,3-xylene
CID 156743127
boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
CID 158144841
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178

Frequently Asked Questions

What is the IUPAC name of fluorooxy-(3-methylphenyl)borinic acid?
The IUPAC name of fluorooxy-(3-methylphenyl)borinic acid (CID 141302935) is fluorooxy-(3-methylphenyl)borinic acid.
What is the SMILES notation for fluorooxy-(3-methylphenyl)borinic acid?
The canonical SMILES for fluorooxy-(3-methylphenyl)borinic acid is Cc1cccc(B(O)OF)c1.
What is the InChIKey of fluorooxy-(3-methylphenyl)borinic acid?
The InChIKey is CAZFJGYJVVFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO2/c1-6-3-2-4-7(5-6)8(10)11-9/h2-5,10H,1H3.
What are the key properties of fluorooxy-(3-methylphenyl)borinic acid?
fluorooxy-(3-methylphenyl)borinic acid has a molecular weight of 153.95 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy-(3-methylphenyl)borinic acid is sourced from PubChem (CID 141302935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).