CID 175081519

BFeO2 — CID 175081519

IUPAC—
SMILESO=[Fe]=O.[B]
InChIInChI=1S/B.Fe.2O
InChIKeyQQDHWFQJRVFJDY-UHFFFAOYSA-N
MW98.65 g/mol
LogP-0.62
Rot. Bonds

About CID 175081519

CID 175081519 (PubChem CID 175081519) has the molecular formula BFeO2 and a molecular weight of 98.65 g/mol.

Molecular Properties

Compound NameCID 175081519
PubChem CID175081519
Molecular FormulaBFeO2
Molecular Weight98.65 g/mol
Exact Mass98.93
IUPAC Name—
SMILESO=[Fe]=O.[B]
InChIInChI=1S/B.Fe.2O
InChIKeyQQDHWFQJRVFJDY-UHFFFAOYSA-N
XLogP-0.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.65
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
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 175081519?
The IUPAC name of CID 175081519 (CID 175081519) is not available.
What is the SMILES notation for CID 175081519?
The canonical SMILES for CID 175081519 is O=[Fe]=O.[B].
What is the InChIKey of CID 175081519?
The InChIKey is QQDHWFQJRVFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Fe.2O.
What are the key properties of CID 175081519?
CID 175081519 has a molecular weight of 98.65 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175081519 is sourced from PubChem (CID 175081519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).