CID 69494686

C7H5BFO2 — CID 69494686

IUPAC—
SMILESOC1O[B]c2cc(F)ccc21
InChIInChI=1S/C7H5BFO2/c9-4-1-2-5-6(3-4)8-11-7(5)10/h1-3,7,10H
InChIKeyDKRIPPMIIRMZDC-UHFFFAOYSA-N
MW150.92 g/mol
LogP0.09
Rot. Bonds

About CID 69494686

CID 69494686 (PubChem CID 69494686) has the molecular formula C7H5BFO2 and a molecular weight of 150.92 g/mol.

Molecular Properties

Compound NameCID 69494686
PubChem CID69494686
Molecular FormulaC7H5BFO2
Molecular Weight150.92 g/mol
Exact Mass151.04
IUPAC Name—
SMILESOC1O[B]c2cc(F)ccc21
InChIInChI=1S/C7H5BFO2/c9-4-1-2-5-6(3-4)8-11-7(5)10/h1-3,7,10H
InChIKeyDKRIPPMIIRMZDC-UHFFFAOYSA-N
XLogP0.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.92
LogP ≤ 50.09
H-Bond Donors ≤ 51
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 69494686?
The IUPAC name of CID 69494686 (CID 69494686) is not available.
What is the SMILES notation for CID 69494686?
The canonical SMILES for CID 69494686 is OC1O[B]c2cc(F)ccc21.
What is the InChIKey of CID 69494686?
The InChIKey is DKRIPPMIIRMZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BFO2/c9-4-1-2-5-6(3-4)8-11-7(5)10/h1-3,7,10H.
What are the key properties of CID 69494686?
CID 69494686 has a molecular weight of 150.92 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69494686 is sourced from PubChem (CID 69494686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).