trifluoroborane

B2F6 — CID 139047389

IUPACtrifluoroborane
SMILESFB(F)F.FB(F)F
InChIInChI=1S/2BF3/c2*2-1(3)4
InChIKeyVXGDDOCDUQOYEZ-UHFFFAOYSA-N
MW135.61 g/mol
LogP1.76
Rot. Bonds

About trifluoroborane

trifluoroborane (PubChem CID 139047389) has the molecular formula B2F6 and a molecular weight of 135.61 g/mol. Its IUPAC name is trifluoroborane.

Molecular Properties

Compound Nametrifluoroborane
PubChem CID139047389
Molecular FormulaB2F6
Molecular Weight135.61 g/mol
Exact Mass136.01
IUPAC Nametrifluoroborane
SMILESFB(F)F.FB(F)F
InChIInChI=1S/2BF3/c2*2-1(3)4
InChIKeyVXGDDOCDUQOYEZ-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trifluoroborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoroborane?
The IUPAC name of trifluoroborane (CID 139047389) is trifluoroborane.
What is the SMILES notation for trifluoroborane?
The canonical SMILES for trifluoroborane is FB(F)F.FB(F)F.
What is the InChIKey of trifluoroborane?
The InChIKey is VXGDDOCDUQOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2BF3/c2*2-1(3)4.
What are the key properties of trifluoroborane?
trifluoroborane has a molecular weight of 135.61 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoroborane is sourced from PubChem (CID 139047389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).