(2,3,4,6-tetrafluorophenoxy)boronic acid

C6H3BF4O3 — CID 23221750

IUPAC(2,3,4,6-tetrafluorophenoxy)boronic acid
SMILESOB(O)Oc1c(F)cc(F)c(F)c1F
InChIInChI=1S/C6H3BF4O3/c8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h1,12-13H
InChIKeyRURFJXKOXIWFJX-UHFFFAOYSA-N
MW209.89 g/mol
LogP0.59
Rot. Bonds2

About (2,3,4,6-tetrafluorophenoxy)boronic acid

(2,3,4,6-tetrafluorophenoxy)boronic acid (PubChem CID 23221750) has the molecular formula C6H3BF4O3 and a molecular weight of 209.89 g/mol. Its IUPAC name is (2,3,4,6-tetrafluorophenoxy)boronic acid.

Molecular Properties

Compound Name(2,3,4,6-tetrafluorophenoxy)boronic acid
PubChem CID23221750
Molecular FormulaC6H3BF4O3
Molecular Weight209.89 g/mol
Exact Mass210.01
IUPAC Name(2,3,4,6-tetrafluorophenoxy)boronic acid
SMILESOB(O)Oc1c(F)cc(F)c(F)c1F
InChIInChI=1S/C6H3BF4O3/c8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h1,12-13H
InChIKeyRURFJXKOXIWFJX-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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Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetrafluorophenoxy)boronic acid?
The IUPAC name of (2,3,4,6-tetrafluorophenoxy)boronic acid (CID 23221750) is (2,3,4,6-tetrafluorophenoxy)boronic acid.
What is the SMILES notation for (2,3,4,6-tetrafluorophenoxy)boronic acid?
The canonical SMILES for (2,3,4,6-tetrafluorophenoxy)boronic acid is OB(O)Oc1c(F)cc(F)c(F)c1F.
What is the InChIKey of (2,3,4,6-tetrafluorophenoxy)boronic acid?
The InChIKey is RURFJXKOXIWFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BF4O3/c8-2-1-3(9)6(14-7(12)13)5(11)4(2)10/h1,12-13H.
What are the key properties of (2,3,4,6-tetrafluorophenoxy)boronic acid?
(2,3,4,6-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 (2,3,4,6-tetrafluorophenoxy)boronic acid is sourced from PubChem (CID 23221750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).