CID 21102672

HBFO2 — CID 21102672

IUPAC—
SMILESO[B]OF
InChIInChI=1S/BFHO2/c2-4-1-3/h3H
InChIKeyVRNVAXCEODOHDK-UHFFFAOYSA-N
MW62.82 g/mol
LogP-0.59
Rot. Bonds1

About CID 21102672

CID 21102672 (PubChem CID 21102672) has the molecular formula HBFO2 and a molecular weight of 62.82 g/mol.

Molecular Properties

Compound NameCID 21102672
PubChem CID21102672
Molecular FormulaHBFO2
Molecular Weight62.82 g/mol
Exact Mass63.01
IUPAC Name—
SMILESO[B]OF
InChIInChI=1S/BFHO2/c2-4-1-3/h3H
InChIKeyVRNVAXCEODOHDK-UHFFFAOYSA-N
XLogP-0.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.82
LogP ≤ 5-0.59
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 21102672?
The IUPAC name of CID 21102672 (CID 21102672) is not available.
What is the SMILES notation for CID 21102672?
The canonical SMILES for CID 21102672 is O[B]OF.
What is the InChIKey of CID 21102672?
The InChIKey is VRNVAXCEODOHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/BFHO2/c2-4-1-3/h3H.
What are the key properties of CID 21102672?
CID 21102672 has a molecular weight of 62.82 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21102672 is sourced from PubChem (CID 21102672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).