dihydroperoxy-[2-(trifluoromethyl)phenyl]borane

C7H6BF3O4 — CID 141073252

IUPACdihydroperoxy-[2-(trifluoromethyl)phenyl]borane
SMILESOOB(OO)c1ccccc1C(F)(F)F
InChIInChI=1S/C7H6BF3O4/c9-7(10,11)5-3-1-2-4-6(5)8(14-12)15-13/h1-4,12-13H
InChIKeyAQWIDMOGIDCVIV-UHFFFAOYSA-N
MW221.93 g/mol
LogP1.38
Rot. Bonds3

About dihydroperoxy-[2-(trifluoromethyl)phenyl]borane

dihydroperoxy-[2-(trifluoromethyl)phenyl]borane (PubChem CID 141073252) has the molecular formula C7H6BF3O4 and a molecular weight of 221.93 g/mol. Its IUPAC name is dihydroperoxy-[2-(trifluoromethyl)phenyl]borane.

Molecular Properties

Compound Namedihydroperoxy-[2-(trifluoromethyl)phenyl]borane
PubChem CID141073252
Molecular FormulaC7H6BF3O4
Molecular Weight221.93 g/mol
Exact Mass222.03
IUPAC Namedihydroperoxy-[2-(trifluoromethyl)phenyl]borane
SMILESOOB(OO)c1ccccc1C(F)(F)F
InChIInChI=1S/C7H6BF3O4/c9-7(10,11)5-3-1-2-4-6(5)8(14-12)15-13/h1-4,12-13H
InChIKeyAQWIDMOGIDCVIV-UHFFFAOYSA-N
XLogP1.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.93
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of dihydroperoxy-[2-(trifluoromethyl)phenyl]borane?
The IUPAC name of dihydroperoxy-[2-(trifluoromethyl)phenyl]borane (CID 141073252) is dihydroperoxy-[2-(trifluoromethyl)phenyl]borane.
What is the SMILES notation for dihydroperoxy-[2-(trifluoromethyl)phenyl]borane?
The canonical SMILES for dihydroperoxy-[2-(trifluoromethyl)phenyl]borane is OOB(OO)c1ccccc1C(F)(F)F.
What is the InChIKey of dihydroperoxy-[2-(trifluoromethyl)phenyl]borane?
The InChIKey is AQWIDMOGIDCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3O4/c9-7(10,11)5-3-1-2-4-6(5)8(14-12)15-13/h1-4,12-13H.
What are the key properties of dihydroperoxy-[2-(trifluoromethyl)phenyl]borane?
dihydroperoxy-[2-(trifluoromethyl)phenyl]borane has a molecular weight of 221.93 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroperoxy-[2-(trifluoromethyl)phenyl]borane is sourced from PubChem (CID 141073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).