CID 69435849

C7H5BCl2F3O2 — CID 69435849

IUPAC—
SMILESFC(F)(F)c1ccc(Cl)cc1Cl.O[B]O
InChIInChI=1S/C7H3Cl2F3.BH2O2/c8-4-1-2-5(6(9)3-4)7(10,11)12;2-1-3/h1-3H;2-3H
InChIKeyQWOLGQWDAUBJND-UHFFFAOYSA-N
MW259.83 g/mol
LogP2.52
Rot. Bonds

About CID 69435849

CID 69435849 (PubChem CID 69435849) has the molecular formula C7H5BCl2F3O2 and a molecular weight of 259.83 g/mol.

Molecular Properties

Compound NameCID 69435849
PubChem CID69435849
Molecular FormulaC7H5BCl2F3O2
Molecular Weight259.83 g/mol
Exact Mass258.97
IUPAC Name—
SMILESFC(F)(F)c1ccc(Cl)cc1Cl.O[B]O
InChIInChI=1S/C7H3Cl2F3.BH2O2/c8-4-1-2-5(6(9)3-4)7(10,11)12;2-1-3/h1-3H;2-3H
InChIKeyQWOLGQWDAUBJND-UHFFFAOYSA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.83
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 69435849 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 69435849?
The IUPAC name of CID 69435849 (CID 69435849) is not available.
What is the SMILES notation for CID 69435849?
The canonical SMILES for CID 69435849 is FC(F)(F)c1ccc(Cl)cc1Cl.O[B]O.
What is the InChIKey of CID 69435849?
The InChIKey is QWOLGQWDAUBJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3.BH2O2/c8-4-1-2-5(6(9)3-4)7(10,11)12;2-1-3/h1-3H;2-3H.
What are the key properties of CID 69435849?
CID 69435849 has a molecular weight of 259.83 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69435849 is sourced from PubChem (CID 69435849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).