methylperoxy-(2,3,4-trifluorophenyl)borinic acid

C7H6BF3O3 — CID 141191380

IUPACmethylperoxy-(2,3,4-trifluorophenyl)borinic acid
SMILESCOOB(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H6BF3O3/c1-13-14-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,12H,1H3
InChIKeyOMWFBYFZQJZIKA-UHFFFAOYSA-N
MW205.93 g/mol
LogP0.37
Rot. Bonds3

About methylperoxy-(2,3,4-trifluorophenyl)borinic acid

methylperoxy-(2,3,4-trifluorophenyl)borinic acid (PubChem CID 141191380) has the molecular formula C7H6BF3O3 and a molecular weight of 205.93 g/mol. Its IUPAC name is methylperoxy-(2,3,4-trifluorophenyl)borinic acid.

Molecular Properties

Compound Namemethylperoxy-(2,3,4-trifluorophenyl)borinic acid
PubChem CID141191380
Molecular FormulaC7H6BF3O3
Molecular Weight205.93 g/mol
Exact Mass206.04
IUPAC Namemethylperoxy-(2,3,4-trifluorophenyl)borinic acid
SMILESCOOB(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H6BF3O3/c1-13-14-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,12H,1H3
InChIKeyOMWFBYFZQJZIKA-UHFFFAOYSA-N
XLogP0.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.93
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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

(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
[fluorooxy-(2,3,4-trifluorophenyl)boranyl] hypofluorite
CID 53402040
methylperoxy-[2-(trifluoromethyl)phenyl]borinic acid
CID 87615043
(4,5,6,7-tetrafluoronaphthalen-1-yl)-(2,3,6-trifluorophenoxy)borinic acid
CID 141042463
methylperoxy-(4-methylphenyl)borinic acid
CID 141178480
methylperoxy(phenyl)borinic acid;hydrofluoride
CID 175302073
[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3,4-difluorophenyl]-(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)borane
CID 101442216
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
CID 87257465
CID 87257465
(7-fluoro-1H-indol-4-yl)boronic acid
CID 119085742
[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
CID 138987194
methyl 2-amino-3,4-difluorobenzoate
CID 22621156

Frequently Asked Questions

What is the IUPAC name of methylperoxy-(2,3,4-trifluorophenyl)borinic acid?
The IUPAC name of methylperoxy-(2,3,4-trifluorophenyl)borinic acid (CID 141191380) is methylperoxy-(2,3,4-trifluorophenyl)borinic acid.
What is the SMILES notation for methylperoxy-(2,3,4-trifluorophenyl)borinic acid?
The canonical SMILES for methylperoxy-(2,3,4-trifluorophenyl)borinic acid is COOB(O)c1ccc(F)c(F)c1F.
What is the InChIKey of methylperoxy-(2,3,4-trifluorophenyl)borinic acid?
The InChIKey is OMWFBYFZQJZIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3O3/c1-13-14-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,12H,1H3.
What are the key properties of methylperoxy-(2,3,4-trifluorophenyl)borinic acid?
methylperoxy-(2,3,4-trifluorophenyl)borinic acid has a molecular weight of 205.93 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxy-(2,3,4-trifluorophenyl)borinic acid is sourced from PubChem (CID 141191380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).