[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid

C7H6BF3O3 — CID 44754759

IUPAC[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(12)1-2-6(5)8(13)14/h1-3,12-14H
InChIKeyMHKOVSRFDDLIFU-UHFFFAOYSA-N
MW205.93 g/mol
LogP0.09
Rot. Bonds1

About [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid

[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid (PubChem CID 44754759) has the molecular formula C7H6BF3O3 and a molecular weight of 205.93 g/mol. Its IUPAC name is [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid
PubChem CID44754759
Molecular FormulaC7H6BF3O3
Molecular Weight205.93 g/mol
Exact Mass206.04
IUPAC Name[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(12)1-2-6(5)8(13)14/h1-3,12-14H
InChIKeyMHKOVSRFDDLIFU-UHFFFAOYSA-N
XLogP0.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.93
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid?
The IUPAC name of [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid (CID 44754759) is [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid.
What is the SMILES notation for [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid?
The canonical SMILES for [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid is OB(O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid?
The InChIKey is MHKOVSRFDDLIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(12)1-2-6(5)8(13)14/h1-3,12-14H.
What are the key properties of [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid?
[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid has a molecular weight of 205.93 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid is sourced from PubChem (CID 44754759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).