CID 90226342

C6H4BF2O2 — CID 90226342

IUPAC—
SMILESO[B]c1cc(F)cc(F)c1O
InChIInChI=1S/C6H4BF2O2/c8-3-1-4(7-11)6(10)5(9)2-3/h1-2,10-11H
InChIKeyRAEVHEKNGIDEJQ-UHFFFAOYSA-N
MW156.90 g/mol
LogP-0.09
Rot. Bonds1

About CID 90226342

CID 90226342 (PubChem CID 90226342) has the molecular formula C6H4BF2O2 and a molecular weight of 156.90 g/mol.

Molecular Properties

Compound NameCID 90226342
PubChem CID90226342
Molecular FormulaC6H4BF2O2
Molecular Weight156.90 g/mol
Exact Mass157.03
IUPAC Name—
SMILESO[B]c1cc(F)cc(F)c1O
InChIInChI=1S/C6H4BF2O2/c8-3-1-4(7-11)6(10)5(9)2-3/h1-2,10-11H
InChIKeyRAEVHEKNGIDEJQ-UHFFFAOYSA-N
XLogP-0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.90
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 90226342?
The IUPAC name of CID 90226342 (CID 90226342) is not available.
What is the SMILES notation for CID 90226342?
The canonical SMILES for CID 90226342 is O[B]c1cc(F)cc(F)c1O.
What is the InChIKey of CID 90226342?
The InChIKey is RAEVHEKNGIDEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BF2O2/c8-3-1-4(7-11)6(10)5(9)2-3/h1-2,10-11H.
What are the key properties of CID 90226342?
CID 90226342 has a molecular weight of 156.90 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90226342 is sourced from PubChem (CID 90226342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).