CID 174443307

C6H7BF2 — CID 174443307

IUPAC—
SMILESF.F.[B]c1ccccc1
InChIInChI=1S/C6H5B.2FH/c7-6-4-2-1-3-5-6;;/h1-5H;2*1H
InChIKeyRUEHVQILLPUSID-UHFFFAOYSA-N
MW127.93 g/mol
LogP0.79
Rot. Bonds

About CID 174443307

CID 174443307 (PubChem CID 174443307) has the molecular formula C6H7BF2 and a molecular weight of 127.93 g/mol.

Molecular Properties

Compound NameCID 174443307
PubChem CID174443307
Molecular FormulaC6H7BF2
Molecular Weight127.93 g/mol
Exact Mass128.06
IUPAC Name—
SMILESF.F.[B]c1ccccc1
InChIInChI=1S/C6H5B.2FH/c7-6-4-2-1-3-5-6;;/h1-5H;2*1H
InChIKeyRUEHVQILLPUSID-UHFFFAOYSA-N
XLogP0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.93
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 174443307 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 174443307?
The IUPAC name of CID 174443307 (CID 174443307) is not available.
What is the SMILES notation for CID 174443307?
The canonical SMILES for CID 174443307 is F.F.[B]c1ccccc1.
What is the InChIKey of CID 174443307?
The InChIKey is RUEHVQILLPUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5B.2FH/c7-6-4-2-1-3-5-6;;/h1-5H;2*1H.
What are the key properties of CID 174443307?
CID 174443307 has a molecular weight of 127.93 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174443307 is sourced from PubChem (CID 174443307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).