(3,5-dibromo-4-fluorophenyl)boronic acid

C6H4BBr2FO2 — CID 130750090

IUPAC(3,5-dibromo-4-fluorophenyl)boronic acid
SMILESOB(O)c1cc(Br)c(F)c(Br)c1
InChIInChI=1S/C6H4BBr2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChIKeyQSMOTUOHRZJJTM-UHFFFAOYSA-N
MW297.71 g/mol
LogP1.03
Rot. Bonds1

About (3,5-dibromo-4-fluorophenyl)boronic acid

(3,5-dibromo-4-fluorophenyl)boronic acid (PubChem CID 130750090) has the molecular formula C6H4BBr2FO2 and a molecular weight of 297.71 g/mol. Its IUPAC name is (3,5-dibromo-4-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(3,5-dibromo-4-fluorophenyl)boronic acid
PubChem CID130750090
Molecular FormulaC6H4BBr2FO2
Molecular Weight297.71 g/mol
Exact Mass295.87
IUPAC Name(3,5-dibromo-4-fluorophenyl)boronic acid
SMILESOB(O)c1cc(Br)c(F)c(Br)c1
InChIInChI=1S/C6H4BBr2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChIKeyQSMOTUOHRZJJTM-UHFFFAOYSA-N
XLogP1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-5-chloro-2,6-difluorophenyl)boronic acid
CID 74892414
(3,5-ditert-butyl-4-fluorophenyl)boronic acid
CID 70872894
(3-amino-4,5-difluorophenyl)boronic acid
CID 44754741
(3-chloro-5-fluorophenyl)boronic acid;hydrochloride
CID 155898818
(3-bromo-5-ethyl-2-fluorophenyl)boronic acid
CID 134715481
3-borono-5-bromo-4-fluorobenzoic acid
CID 44558169
(3-fluoro-5-methylphenyl)boronic acid
CID 19261265
3-bicyclo[3.1.0]hexa-1(6),2,4-trienylboronic acid
CID 123375323
(3-fluoro-5-phosphanylphenyl)boronic acid
CID 163930398
1-bromo-3,5-dimethylbenzene;(3,5-dimethylphenyl)boronic acid
CID 54402818
(2-bromopyrimidin-5-yl)boronic acid
CID 46864096
4-borono-2,6-difluorobenzoic acid
CID 57497263

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-fluorophenyl)boronic acid?
The IUPAC name of (3,5-dibromo-4-fluorophenyl)boronic acid (CID 130750090) is (3,5-dibromo-4-fluorophenyl)boronic acid.
What is the SMILES notation for (3,5-dibromo-4-fluorophenyl)boronic acid?
The canonical SMILES for (3,5-dibromo-4-fluorophenyl)boronic acid is OB(O)c1cc(Br)c(F)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-fluorophenyl)boronic acid?
The InChIKey is QSMOTUOHRZJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BBr2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H.
What are the key properties of (3,5-dibromo-4-fluorophenyl)boronic acid?
(3,5-dibromo-4-fluorophenyl)boronic acid has a molecular weight of 297.71 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-fluorophenyl)boronic acid is sourced from PubChem (CID 130750090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).