CID 59859096

CH3BFO — CID 59859096

IUPAC—
SMILESCO[B]F
InChIInChI=1S/CH3BFO/c1-4-2-3/h1H3
InChIKeyVFADJINXHRWFRI-UHFFFAOYSA-N
MW60.84 g/mol
LogP0.14
Rot. Bonds1

About CID 59859096

CID 59859096 (PubChem CID 59859096) has the molecular formula CH3BFO and a molecular weight of 60.84 g/mol.

Molecular Properties

Compound NameCID 59859096
PubChem CID59859096
Molecular FormulaCH3BFO
Molecular Weight60.84 g/mol
Exact Mass61.03
IUPAC Name—
SMILESCO[B]F
InChIInChI=1S/CH3BFO/c1-4-2-3/h1H3
InChIKeyVFADJINXHRWFRI-UHFFFAOYSA-N
XLogP0.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.84
LogP ≤ 50.14
H-Bond Donors ≤ 50
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 59859096?
The IUPAC name of CID 59859096 (CID 59859096) is not available.
What is the SMILES notation for CID 59859096?
The canonical SMILES for CID 59859096 is CO[B]F.
What is the InChIKey of CID 59859096?
The InChIKey is VFADJINXHRWFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BFO/c1-4-2-3/h1H3.
What are the key properties of CID 59859096?
CID 59859096 has a molecular weight of 60.84 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59859096 is sourced from PubChem (CID 59859096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).