[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid

C7H5BF4O3 — CID 156768601

IUPAC[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid
SMILESOB(O)c1c(O)ccc(C(F)(F)F)c1F
InChIInChI=1S/C7H5BF4O3/c9-6-3(7(10,11)12)1-2-4(13)5(6)8(14)15/h1-2,13-15H
InChIKeyUVYYTTZKNCVMRM-UHFFFAOYSA-N
MW223.92 g/mol
LogP0.23
Rot. Bonds1

About [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid

[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid (PubChem CID 156768601) has the molecular formula C7H5BF4O3 and a molecular weight of 223.92 g/mol. Its IUPAC name is [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid
PubChem CID156768601
Molecular FormulaC7H5BF4O3
Molecular Weight223.92 g/mol
Exact Mass224.03
IUPAC Name[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid
SMILESOB(O)c1c(O)ccc(C(F)(F)F)c1F
InChIInChI=1S/C7H5BF4O3/c9-6-3(7(10,11)12)1-2-4(13)5(6)8(14)15/h1-2,13-15H
InChIKeyUVYYTTZKNCVMRM-UHFFFAOYSA-N
XLogP0.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.92
LogP ≤ 50.23
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-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid?
The IUPAC name of [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid (CID 156768601) is [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid.
What is the SMILES notation for [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid?
The canonical SMILES for [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid is OB(O)c1c(O)ccc(C(F)(F)F)c1F.
What is the InChIKey of [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid?
The InChIKey is UVYYTTZKNCVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF4O3/c9-6-3(7(10,11)12)1-2-4(13)5(6)8(14)15/h1-2,13-15H.
What are the key properties of [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid?
[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid has a molecular weight of 223.92 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid is sourced from PubChem (CID 156768601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).