(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid

C12H11B2FO3 — CID 175150273

IUPAC(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid
SMILESOB(OB(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C12H11B2FO3/c15-12-8-6-11(7-9-12)14(17)18-13(16)10-4-2-1-3-5-10/h1-9,16-17H
InChIKeyLEHYKLZGWDTQAR-UHFFFAOYSA-N
MW243.84 g/mol
LogP-0.08
Rot. Bonds4

About (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid

(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid (PubChem CID 175150273) has the molecular formula C12H11B2FO3 and a molecular weight of 243.84 g/mol. Its IUPAC name is (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid
PubChem CID175150273
Molecular FormulaC12H11B2FO3
Molecular Weight243.84 g/mol
Exact Mass244.09
IUPAC Name(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid
SMILESOB(OB(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C12H11B2FO3/c15-12-8-6-11(7-9-12)14(17)18-13(16)10-4-2-1-3-5-10/h1-9,16-17H
InChIKeyLEHYKLZGWDTQAR-UHFFFAOYSA-N
XLogP-0.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.84
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-Difluorophenyl)boronic acid
CID 2734338
2-Fluorophenylboronic acid
CID 2734354
4-Fluorophenylboronic acid
CID 285645
Diphenylborinic acid
CID 17498
1,4-Benzenediboronic acid
CID 230478
2,4,6-Trifluorophenylboronic Acid
CID 2779329
1,3-Benzenediboronic acid
CID 230477
3-Fluorophenylboronic acid
CID 2733986
(2,3-Difluorophenyl)boronic acid
CID 2734333
2,4-Difluorophenylboronic acid
CID 2734334
(2,5-Difluorophenyl)boronic acid
CID 2734335
2,6-Difluorophenylboronic acid
CID 2734336

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid?
The IUPAC name of (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid (CID 175150273) is (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid.
What is the SMILES notation for (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid?
The canonical SMILES for (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid is OB(OB(O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid?
The InChIKey is LEHYKLZGWDTQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11B2FO3/c15-12-8-6-11(7-9-12)14(17)18-13(16)10-4-2-1-3-5-10/h1-9,16-17H.
What are the key properties of (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid?
(4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid has a molecular weight of 243.84 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[hydroxy(phenyl)boranyl]oxyborinic acid is sourced from PubChem (CID 175150273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).