CID 175976474

C15H9BF3O — CID 175976474

IUPAC—
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)[B]C=C3)cc1
InChIInChI=1S/C15H9BF3O/c17-15(18,19)11-2-5-12(6-3-11)20-13-4-1-10-7-8-16-14(10)9-13/h1-9H
InChIKeyJORZTKVNVICUTE-UHFFFAOYSA-N
MW273.04 g/mol
LogP3.81
Rot. Bonds2

About CID 175976474

CID 175976474 (PubChem CID 175976474) has the molecular formula C15H9BF3O and a molecular weight of 273.04 g/mol.

Molecular Properties

Compound NameCID 175976474
PubChem CID175976474
Molecular FormulaC15H9BF3O
Molecular Weight273.04 g/mol
Exact Mass273.07
IUPAC Name—
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)[B]C=C3)cc1
InChIInChI=1S/C15H9BF3O/c17-15(18,19)11-2-5-12(6-3-11)20-13-4-1-10-7-8-16-14(10)9-13/h1-9H
InChIKeyJORZTKVNVICUTE-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 175976474 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 175976474?
The IUPAC name of CID 175976474 (CID 175976474) is not available.
What is the SMILES notation for CID 175976474?
The canonical SMILES for CID 175976474 is FC(F)(F)c1ccc(Oc2ccc3c(c2)[B]C=C3)cc1.
What is the InChIKey of CID 175976474?
The InChIKey is JORZTKVNVICUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BF3O/c17-15(18,19)11-2-5-12(6-3-11)20-13-4-1-10-7-8-16-14(10)9-13/h1-9H.
What are the key properties of CID 175976474?
CID 175976474 has a molecular weight of 273.04 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175976474 is sourced from PubChem (CID 175976474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).