CID 123173257

C2H2BFO2 — CID 123173257

IUPAC—
SMILES[B]C(F)C(=O)O
InChIInChI=1S/C2H2BFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKeyGCFBVIJIPJFICR-UHFFFAOYSA-N
MW87.85 g/mol
LogP-0.46
Rot. Bonds1

About CID 123173257

CID 123173257 (PubChem CID 123173257) has the molecular formula C2H2BFO2 and a molecular weight of 87.85 g/mol.

Molecular Properties

Compound NameCID 123173257
PubChem CID123173257
Molecular FormulaC2H2BFO2
Molecular Weight87.85 g/mol
Exact Mass88.01
IUPAC Name—
SMILES[B]C(F)C(=O)O
InChIInChI=1S/C2H2BFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKeyGCFBVIJIPJFICR-UHFFFAOYSA-N
XLogP-0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.85
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 123173257?
The IUPAC name of CID 123173257 (CID 123173257) is not available.
What is the SMILES notation for CID 123173257?
The canonical SMILES for CID 123173257 is [B]C(F)C(=O)O.
What is the InChIKey of CID 123173257?
The InChIKey is GCFBVIJIPJFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BFO2/c3-1(4)2(5)6/h1H,(H,5,6).
What are the key properties of CID 123173257?
CID 123173257 has a molecular weight of 87.85 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123173257 is sourced from PubChem (CID 123173257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).