(3-borono-4-fluorophenyl)boronic acid

C6H7B2FO4 — CID 150550580

IUPAC(3-borono-4-fluorophenyl)boronic acid
SMILESOB(O)c1ccc(F)c(B(O)O)c1
InChIInChI=1S/C6H7B2FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,10-13H
InChIKeyIHUHJDGORGFDJS-UHFFFAOYSA-N
MW183.74 g/mol
LogP-2.81
Rot. Bonds2

About (3-borono-4-fluorophenyl)boronic acid

(3-borono-4-fluorophenyl)boronic acid (PubChem CID 150550580) has the molecular formula C6H7B2FO4 and a molecular weight of 183.74 g/mol. Its IUPAC name is (3-borono-4-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(3-borono-4-fluorophenyl)boronic acid
PubChem CID150550580
Molecular FormulaC6H7B2FO4
Molecular Weight183.74 g/mol
Exact Mass184.05
IUPAC Name(3-borono-4-fluorophenyl)boronic acid
SMILESOB(O)c1ccc(F)c(B(O)O)c1
InChIInChI=1S/C6H7B2FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,10-13H
InChIKeyIHUHJDGORGFDJS-UHFFFAOYSA-N
XLogP-2.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.74
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluorophenyl)boronic acid
CID 4683192
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
(4-fluoro-3-trimethylsilylphenyl)boronic acid
CID 102049679
(4-fluoro-3-methylsulfonylphenyl)boronic acid
CID 121229084
(4-tert-butyl-3-fluorophenyl)boronic acid
CID 140655563
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
[3-[difluoro(iodo)methyl]-4-fluorophenyl]boronic acid
CID 163581768
[3-fluoro-4-(1-hydroxyethyl)phenyl]boronic acid
CID 164894819
(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
CID 67115134
(4-fluoro-3-pentan-3-yloxyphenyl)boronic acid
CID 114674666
(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
CID 114674548
[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid
CID 55298064

Frequently Asked Questions

What is the IUPAC name of (3-borono-4-fluorophenyl)boronic acid?
The IUPAC name of (3-borono-4-fluorophenyl)boronic acid (CID 150550580) is (3-borono-4-fluorophenyl)boronic acid.
What is the SMILES notation for (3-borono-4-fluorophenyl)boronic acid?
The canonical SMILES for (3-borono-4-fluorophenyl)boronic acid is OB(O)c1ccc(F)c(B(O)O)c1.
What is the InChIKey of (3-borono-4-fluorophenyl)boronic acid?
The InChIKey is IHUHJDGORGFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7B2FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,10-13H.
What are the key properties of (3-borono-4-fluorophenyl)boronic acid?
(3-borono-4-fluorophenyl)boronic acid has a molecular weight of 183.74 g/mol, XLogP of -2.81, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-borono-4-fluorophenyl)boronic acid is sourced from PubChem (CID 150550580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).