9H-fluoren-4-ylboronic acid

C13H11BO2 — CID 68786516

IUPAC9H-fluoren-4-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C13H11BO2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7,15-16H,8H2
InChIKeyRXOZDDLRPNZDMG-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.94
Rot. Bonds1

About 9H-fluoren-4-ylboronic acid

9H-fluoren-4-ylboronic acid (PubChem CID 68786516) has the molecular formula C13H11BO2 and a molecular weight of 210.04 g/mol. Its IUPAC name is 9H-fluoren-4-ylboronic acid.

Molecular Properties

Compound Name9H-fluoren-4-ylboronic acid
PubChem CID68786516
Molecular FormulaC13H11BO2
Molecular Weight210.04 g/mol
Exact Mass210.09
IUPAC Name9H-fluoren-4-ylboronic acid
SMILESOB(O)c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C13H11BO2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7,15-16H,8H2
InChIKeyRXOZDDLRPNZDMG-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-4-ylboronic acid?
The IUPAC name of 9H-fluoren-4-ylboronic acid (CID 68786516) is 9H-fluoren-4-ylboronic acid.
What is the SMILES notation for 9H-fluoren-4-ylboronic acid?
The canonical SMILES for 9H-fluoren-4-ylboronic acid is OB(O)c1cccc2c1-c1ccccc1C2.
What is the InChIKey of 9H-fluoren-4-ylboronic acid?
The InChIKey is RXOZDDLRPNZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BO2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7,15-16H,8H2.
What are the key properties of 9H-fluoren-4-ylboronic acid?
9H-fluoren-4-ylboronic acid has a molecular weight of 210.04 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-4-ylboronic acid is sourced from PubChem (CID 68786516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).