trifluoro borate

BF3O3 — CID 21217296

IUPACtrifluoro borate
SMILESFOB(OF)OF
InChIInChI=1S/BF3O3/c2-5-1(6-3)7-4
InChIKeyPBIMIGNDTBRRPI-UHFFFAOYSA-N
MW115.80 g/mol
LogP0.67
Rot. Bonds3

About trifluoro borate

trifluoro borate (PubChem CID 21217296) has the molecular formula BF3O3 and a molecular weight of 115.80 g/mol. Its IUPAC name is trifluoro borate.

Molecular Properties

Compound Nametrifluoro borate
PubChem CID21217296
Molecular FormulaBF3O3
Molecular Weight115.80 g/mol
Exact Mass115.99
IUPAC Nametrifluoro borate
SMILESFOB(OF)OF
InChIInChI=1S/BF3O3/c2-5-1(6-3)7-4
InChIKeyPBIMIGNDTBRRPI-UHFFFAOYSA-N
XLogP0.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.80
LogP ≤ 50.67
H-Bond Donors ≤ 50
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 trifluoro borate?
The IUPAC name of trifluoro borate (CID 21217296) is trifluoro borate.
What is the SMILES notation for trifluoro borate?
The canonical SMILES for trifluoro borate is FOB(OF)OF.
What is the InChIKey of trifluoro borate?
The InChIKey is PBIMIGNDTBRRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/BF3O3/c2-5-1(6-3)7-4.
What are the key properties of trifluoro borate?
trifluoro borate has a molecular weight of 115.80 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro borate is sourced from PubChem (CID 21217296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).