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

C7H6BF3O3 — CID 46739103

IUPAC[2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C7H6BF3O3/c9-7(10,11)4-1-2-5(8(13)14)6(12)3-4/h1-3,12-14H
InChIKeyGYGNUMOLFBSVCL-UHFFFAOYSA-N
MW205.93 g/mol
LogP0.09
Rot. Bonds1

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

[2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid (PubChem CID 46739103) has the molecular formula C7H6BF3O3 and a molecular weight of 205.93 g/mol. Its IUPAC name is [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid
PubChem CID46739103
Molecular FormulaC7H6BF3O3
Molecular Weight205.93 g/mol
Exact Mass206.04
IUPAC Name[2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid
SMILESOB(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C7H6BF3O3/c9-7(10,11)4-1-2-5(8(13)14)6(12)3-4/h1-3,12-14H
InChIKeyGYGNUMOLFBSVCL-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'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid?
The IUPAC name of [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid (CID 46739103) is [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid.
What is the SMILES notation for [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid?
The canonical SMILES for [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid is OB(O)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid?
The InChIKey is GYGNUMOLFBSVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3O3/c9-7(10,11)4-1-2-5(8(13)14)6(12)3-4/h1-3,12-14H.
What are the key properties of [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid?
[2-hydroxy-4-(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 [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid is sourced from PubChem (CID 46739103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).