methylperoxy(phenyl)borinic acid;hydrofluoride

C7H10BFO3 — CID 175302073

IUPACmethylperoxy(phenyl)borinic acid;hydrofluoride
SMILESCOOB(O)c1ccccc1.F
InChIInChI=1S/C7H9BO3.FH/c1-10-11-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChIKeyLCGVBYGDHJVLGX-UHFFFAOYSA-N
MW171.96 g/mol
LogP0.10
Rot. Bonds3

About methylperoxy(phenyl)borinic acid;hydrofluoride

methylperoxy(phenyl)borinic acid;hydrofluoride (PubChem CID 175302073) has the molecular formula C7H10BFO3 and a molecular weight of 171.96 g/mol. Its IUPAC name is methylperoxy(phenyl)borinic acid;hydrofluoride.

Molecular Properties

Compound Namemethylperoxy(phenyl)borinic acid;hydrofluoride
PubChem CID175302073
Molecular FormulaC7H10BFO3
Molecular Weight171.96 g/mol
Exact Mass172.07
IUPAC Namemethylperoxy(phenyl)borinic acid;hydrofluoride
SMILESCOOB(O)c1ccccc1.F
InChIInChI=1S/C7H9BO3.FH/c1-10-11-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
InChIKeyLCGVBYGDHJVLGX-UHFFFAOYSA-N
XLogP0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.96
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methylperoxy-(4-methylphenyl)borinic acid
CID 141178480
phenyl(phenylperoxy)borinic acid
CID 87134111
methoxycarbonyloxy(phenyl)borinic acid
CID 66960185
(2-hydroxy-2-methylpropyl)peroxy-phenylborinic acid
CID 140987419
benzylperoxy(phenyl)borinic acid
CID 53421874
ethoxy(phenyl)borinic acid
CID 67134240
(2-methoxyphenyl)methylperoxy-phenylborinic acid
CID 87565141
pentan-2-ylperoxy(phenyl)borinic acid
CID 176889435
(4-tert-butylphenoxy)-phenylborinic acid
CID 175423701
methylsulfinyloxy(phenyl)borinic acid
CID 168860148
methyl [amino(phenyl)boranyl]formate
CID 174576984
hydroxymethoxy(phenyl)borinic acid
CID 66666392

Frequently Asked Questions

What is the IUPAC name of methylperoxy(phenyl)borinic acid;hydrofluoride?
The IUPAC name of methylperoxy(phenyl)borinic acid;hydrofluoride (CID 175302073) is methylperoxy(phenyl)borinic acid;hydrofluoride.
What is the SMILES notation for methylperoxy(phenyl)borinic acid;hydrofluoride?
The canonical SMILES for methylperoxy(phenyl)borinic acid;hydrofluoride is COOB(O)c1ccccc1.F.
What is the InChIKey of methylperoxy(phenyl)borinic acid;hydrofluoride?
The InChIKey is LCGVBYGDHJVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3.FH/c1-10-11-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H.
What are the key properties of methylperoxy(phenyl)borinic acid;hydrofluoride?
methylperoxy(phenyl)borinic acid;hydrofluoride has a molecular weight of 171.96 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxy(phenyl)borinic acid;hydrofluoride is sourced from PubChem (CID 175302073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).