azane;fluoro(methoxy)borinic acid

CH7BFNO2 — CID 173155946

IUPACazane;fluoro(methoxy)borinic acid
SMILESCOB(O)F.N
InChIInChI=1S/CH4BFO2.H3N/c1-5-2(3)4;/h4H,1H3;1H3
InChIKeyVSNLFUXXDSJDER-UHFFFAOYSA-N
MW94.88 g/mol
LogP-0.26
Rot. Bonds1

About azane;fluoro(methoxy)borinic acid

azane;fluoro(methoxy)borinic acid (PubChem CID 173155946) has the molecular formula CH7BFNO2 and a molecular weight of 94.88 g/mol. Its IUPAC name is azane;fluoro(methoxy)borinic acid.

Molecular Properties

Compound Nameazane;fluoro(methoxy)borinic acid
PubChem CID173155946
Molecular FormulaCH7BFNO2
Molecular Weight94.88 g/mol
Exact Mass95.06
IUPAC Nameazane;fluoro(methoxy)borinic acid
SMILESCOB(O)F.N
InChIInChI=1S/CH4BFO2.H3N/c1-5-2(3)4;/h4H,1H3;1H3
InChIKeyVSNLFUXXDSJDER-UHFFFAOYSA-N
XLogP-0.26
TPSA64.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.88
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azane;fluoro(methoxy)borinic acid?
The IUPAC name of azane;fluoro(methoxy)borinic acid (CID 173155946) is azane;fluoro(methoxy)borinic acid.
What is the SMILES notation for azane;fluoro(methoxy)borinic acid?
The canonical SMILES for azane;fluoro(methoxy)borinic acid is COB(O)F.N.
What is the InChIKey of azane;fluoro(methoxy)borinic acid?
The InChIKey is VSNLFUXXDSJDER-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BFO2.H3N/c1-5-2(3)4;/h4H,1H3;1H3.
What are the key properties of azane;fluoro(methoxy)borinic acid?
azane;fluoro(methoxy)borinic acid has a molecular weight of 94.88 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;fluoro(methoxy)borinic acid is sourced from PubChem (CID 173155946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).