CID 143959293

C7H4BClF3O — CID 143959293

IUPAC—
SMILESO[B]c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H4BClF3O/c9-4-1-2-6(8-13)5(3-4)7(10,11)12/h1-3,13H
InChIKeyWCDJFKFQHVQLLD-UHFFFAOYSA-N
MW207.37 g/mol
LogP1.60
Rot. Bonds1

About CID 143959293

CID 143959293 (PubChem CID 143959293) has the molecular formula C7H4BClF3O and a molecular weight of 207.37 g/mol.

Molecular Properties

Compound NameCID 143959293
PubChem CID143959293
Molecular FormulaC7H4BClF3O
Molecular Weight207.37 g/mol
Exact Mass207.00
IUPAC Name—
SMILESO[B]c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H4BClF3O/c9-4-1-2-6(8-13)5(3-4)7(10,11)12/h1-3,13H
InChIKeyWCDJFKFQHVQLLD-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 CID 143959293?
The IUPAC name of CID 143959293 (CID 143959293) is not available.
What is the SMILES notation for CID 143959293?
The canonical SMILES for CID 143959293 is O[B]c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of CID 143959293?
The InChIKey is WCDJFKFQHVQLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BClF3O/c9-4-1-2-6(8-13)5(3-4)7(10,11)12/h1-3,13H.
What are the key properties of CID 143959293?
CID 143959293 has a molecular weight of 207.37 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143959293 is sourced from PubChem (CID 143959293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).