CID 172850697

H2BFKO2 — CID 172850697

IUPAC—
SMILESO[B]O.[F-].[K+]
InChIInChI=1S/BH2O2.FH.K/c2-1-3;;/h2-3H;1H;/q;;+1/p-1
InChIKeySVQQBXTUMOODOH-UHFFFAOYSA-M
MW102.92 g/mol
LogP-7.49
Rot. Bonds

About CID 172850697

CID 172850697 (PubChem CID 172850697) has the molecular formula H2BFKO2 and a molecular weight of 102.92 g/mol.

Molecular Properties

Compound NameCID 172850697
PubChem CID172850697
Molecular FormulaH2BFKO2
Molecular Weight102.92 g/mol
Exact Mass102.98
IUPAC Name—
SMILESO[B]O.[F-].[K+]
InChIInChI=1S/BH2O2.FH.K/c2-1-3;;/h2-3H;1H;/q;;+1/p-1
InChIKeySVQQBXTUMOODOH-UHFFFAOYSA-M
XLogP-7.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.92
LogP ≤ 5-7.49
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 172850697?
The IUPAC name of CID 172850697 (CID 172850697) is not available.
What is the SMILES notation for CID 172850697?
The canonical SMILES for CID 172850697 is O[B]O.[F-].[K+].
What is the InChIKey of CID 172850697?
The InChIKey is SVQQBXTUMOODOH-UHFFFAOYSA-M. The full InChI is InChI=1S/BH2O2.FH.K/c2-1-3;;/h2-3H;1H;/q;;+1/p-1.
What are the key properties of CID 172850697?
CID 172850697 has a molecular weight of 102.92 g/mol, XLogP of -7.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172850697 is sourced from PubChem (CID 172850697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).