(2,3,4,5-tetrafluorophenoxy)boronic acid

C6H3BF4O3 — CID 54153488

IUPAC(2,3,4,5-tetrafluorophenoxy)boronic acid
SMILESOB(O)Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6H3BF4O3/c8-2-1-3(14-7(12)13)5(10)6(11)4(2)9/h1,12-13H
InChIKeyOJJVPGJEBAZOIF-UHFFFAOYSA-N
MW209.89 g/mol
LogP0.59
Rot. Bonds2

About (2,3,4,5-tetrafluorophenoxy)boronic acid

(2,3,4,5-tetrafluorophenoxy)boronic acid (PubChem CID 54153488) has the molecular formula C6H3BF4O3 and a molecular weight of 209.89 g/mol. Its IUPAC name is (2,3,4,5-tetrafluorophenoxy)boronic acid.

Molecular Properties

Compound Name(2,3,4,5-tetrafluorophenoxy)boronic acid
PubChem CID54153488
Molecular FormulaC6H3BF4O3
Molecular Weight209.89 g/mol
Exact Mass210.01
IUPAC Name(2,3,4,5-tetrafluorophenoxy)boronic acid
SMILESOB(O)Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6H3BF4O3/c8-2-1-3(14-7(12)13)5(10)6(11)4(2)9/h1,12-13H
InChIKeyOJJVPGJEBAZOIF-UHFFFAOYSA-N
XLogP0.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.89
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3,5-Difluorophenol
CID 75928
3,4-Difluorophenol
CID 75927
3,4,5-Trifluorophenol
CID 2777943
2,5-Difluorophenol
CID 94952
2,3,5,6-Tetrafluorophenol
CID 69858
2,4-Difluorophenol
CID 123051
2,3-Difluorophenol
CID 80879
2,4,6-Trifluorophenol
CID 519974
2,3,4-Trifluorophenol
CID 123174
2,4,5-Trifluorophenol
CID 123153
2,3,6-Trifluorophenol
CID 517988
2,3,5-Trifluorophenol
CID 2733311

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluorophenoxy)boronic acid?
The IUPAC name of (2,3,4,5-tetrafluorophenoxy)boronic acid (CID 54153488) is (2,3,4,5-tetrafluorophenoxy)boronic acid.
What is the SMILES notation for (2,3,4,5-tetrafluorophenoxy)boronic acid?
The canonical SMILES for (2,3,4,5-tetrafluorophenoxy)boronic acid is OB(O)Oc1cc(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5-tetrafluorophenoxy)boronic acid?
The InChIKey is OJJVPGJEBAZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BF4O3/c8-2-1-3(14-7(12)13)5(10)6(11)4(2)9/h1,12-13H.
What are the key properties of (2,3,4,5-tetrafluorophenoxy)boronic acid?
(2,3,4,5-tetrafluorophenoxy)boronic acid has a molecular weight of 209.89 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrafluorophenoxy)boronic acid is sourced from PubChem (CID 54153488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).