(2,3,4,5,6-pentafluorophenyl)boronic acid

C6H2BF5O2 — CID 2775922

IUPAC(2,3,4,5,6-pentafluorophenyl)boronic acid
SMILESOB(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H
InChIKeyVASOMTXTRMYSKD-UHFFFAOYSA-N
MW211.88 g/mol
LogP0.06
Rot. Bonds1

About (2,3,4,5,6-pentafluorophenyl)boronic acid

(2,3,4,5,6-pentafluorophenyl)boronic acid (PubChem CID 2775922) has the molecular formula C6H2BF5O2 and a molecular weight of 211.88 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)boronic acid.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)boronic acid
PubChem CID2775922
Molecular FormulaC6H2BF5O2
Molecular Weight211.88 g/mol
Exact Mass212.01
IUPAC Name(2,3,4,5,6-pentafluorophenyl)boronic acid
SMILESOB(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H
InChIKeyVASOMTXTRMYSKD-UHFFFAOYSA-N
XLogP0.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.88
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2,3,4,5,6-pentafluorophenyl)boronic acid?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)boronic acid (CID 2775922) is (2,3,4,5,6-pentafluorophenyl)boronic acid.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)boronic acid?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)boronic acid is OB(O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)boronic acid?
The InChIKey is VASOMTXTRMYSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)boronic acid?
(2,3,4,5,6-pentafluorophenyl)boronic acid has a molecular weight of 211.88 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)boronic acid is sourced from PubChem (CID 2775922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).