phenoxy(2,2,2-trifluoroethylperoxy)borinic acid

C8H8BF3O4 — CID 142796996

IUPACphenoxy(2,2,2-trifluoroethylperoxy)borinic acid
SMILESOB(OOCC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C8H8BF3O4/c10-8(11,12)6-14-16-9(13)15-7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyWLSQIQHEFMOFOH-UHFFFAOYSA-N
MW235.95 g/mol
LogP1.55
Rot. Bonds5

About phenoxy(2,2,2-trifluoroethylperoxy)borinic acid

phenoxy(2,2,2-trifluoroethylperoxy)borinic acid (PubChem CID 142796996) has the molecular formula C8H8BF3O4 and a molecular weight of 235.95 g/mol. Its IUPAC name is phenoxy(2,2,2-trifluoroethylperoxy)borinic acid.

Molecular Properties

Compound Namephenoxy(2,2,2-trifluoroethylperoxy)borinic acid
PubChem CID142796996
Molecular FormulaC8H8BF3O4
Molecular Weight235.95 g/mol
Exact Mass236.05
IUPAC Namephenoxy(2,2,2-trifluoroethylperoxy)borinic acid
SMILESOB(OOCC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C8H8BF3O4/c10-8(11,12)6-14-16-9(13)15-7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyWLSQIQHEFMOFOH-UHFFFAOYSA-N
XLogP1.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.95
LogP ≤ 51.55
H-Bond Donors ≤ 51
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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Related Compounds

azane;diphenoxyborinic acid
CID 172846440
aminooxy(phenoxy)borinic acid
CID 19081591
bis[4-(trifluoromethyl)phenoxy]borinic acid
CID 174972605
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
azane;phenoxy(trityloxy)borinic acid
CID 173204467
[3,5-bis(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium
CID 177131618
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
1,1-difluoro-2-phenoxyethanesulfinic acid
CID 91070977
oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium
CID 157259236
(2-hydroxy-2-methylpropyl)peroxy-phenylborinic acid
CID 140987419
1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
CID 14341019

Frequently Asked Questions

What is the IUPAC name of phenoxy(2,2,2-trifluoroethylperoxy)borinic acid?
The IUPAC name of phenoxy(2,2,2-trifluoroethylperoxy)borinic acid (CID 142796996) is phenoxy(2,2,2-trifluoroethylperoxy)borinic acid.
What is the SMILES notation for phenoxy(2,2,2-trifluoroethylperoxy)borinic acid?
The canonical SMILES for phenoxy(2,2,2-trifluoroethylperoxy)borinic acid is OB(OOCC(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenoxy(2,2,2-trifluoroethylperoxy)borinic acid?
The InChIKey is WLSQIQHEFMOFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BF3O4/c10-8(11,12)6-14-16-9(13)15-7-4-2-1-3-5-7/h1-5,13H,6H2.
What are the key properties of phenoxy(2,2,2-trifluoroethylperoxy)borinic acid?
phenoxy(2,2,2-trifluoroethylperoxy)borinic acid has a molecular weight of 235.95 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(2,2,2-trifluoroethylperoxy)borinic acid is sourced from PubChem (CID 142796996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).