tris(4-fluorophenyl)borane

C18H12BF3 — CID 626579

IUPACtris(4-fluorophenyl)borane
SMILESFc1ccc(B(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12BF3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12H
InChIKeyYPVVTWIAXFPZLS-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.62
Rot. Bonds3

About tris(4-fluorophenyl)borane

tris(4-fluorophenyl)borane (PubChem CID 626579) has the molecular formula C18H12BF3 and a molecular weight of 296.10 g/mol. Its IUPAC name is tris(4-fluorophenyl)borane.

Molecular Properties

Compound Nametris(4-fluorophenyl)borane
PubChem CID626579
Molecular FormulaC18H12BF3
Molecular Weight296.10 g/mol
Exact Mass296.10
IUPAC Nametris(4-fluorophenyl)borane
SMILESFc1ccc(B(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12BF3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12H
InChIKeyYPVVTWIAXFPZLS-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tris(4-fluorophenyl)borane?
The IUPAC name of tris(4-fluorophenyl)borane (CID 626579) is tris(4-fluorophenyl)borane.
What is the SMILES notation for tris(4-fluorophenyl)borane?
The canonical SMILES for tris(4-fluorophenyl)borane is Fc1ccc(B(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl)borane?
The InChIKey is YPVVTWIAXFPZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BF3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12H.
What are the key properties of tris(4-fluorophenyl)borane?
tris(4-fluorophenyl)borane has a molecular weight of 296.10 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)borane is sourced from PubChem (CID 626579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).