CID 6375292

C12H8BF — CID 6375292

IUPAC—
SMILES[B]c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C12H8BF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyLENKVVCQLBBXGN-UHFFFAOYSA-N
MW182.01 g/mol
LogP2.29
Rot. Bonds1

About CID 6375292

CID 6375292 (PubChem CID 6375292) has the molecular formula C12H8BF and a molecular weight of 182.01 g/mol.

Molecular Properties

Compound NameCID 6375292
PubChem CID6375292
Molecular FormulaC12H8BF
Molecular Weight182.01 g/mol
Exact Mass182.07
IUPAC Name—
SMILES[B]c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C12H8BF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyLENKVVCQLBBXGN-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.01
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 6375292 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 6375292?
The IUPAC name of CID 6375292 (CID 6375292) is not available.
What is the SMILES notation for CID 6375292?
The canonical SMILES for CID 6375292 is [B]c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of CID 6375292?
The InChIKey is LENKVVCQLBBXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of CID 6375292?
CID 6375292 has a molecular weight of 182.01 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6375292 is sourced from PubChem (CID 6375292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).