tris(2,6-difluorophenyl)borane

C18H9BF6 — CID 15794326

IUPACtris(2,6-difluorophenyl)borane
SMILESFc1cccc(F)c1B(c1c(F)cccc1F)c1c(F)cccc1F
InChIInChI=1S/C18H9BF6/c20-10-4-1-5-11(21)16(10)19(17-12(22)6-2-7-13(17)23)18-14(24)8-3-9-15(18)25/h1-9H
InChIKeyJLJPODGFCSCSOY-UHFFFAOYSA-N
MW350.07 g/mol
LogP3.04
Rot. Bonds3

About tris(2,6-difluorophenyl)borane

tris(2,6-difluorophenyl)borane (PubChem CID 15794326) has the molecular formula C18H9BF6 and a molecular weight of 350.07 g/mol. Its IUPAC name is tris(2,6-difluorophenyl)borane.

Molecular Properties

Compound Nametris(2,6-difluorophenyl)borane
PubChem CID15794326
Molecular FormulaC18H9BF6
Molecular Weight350.07 g/mol
Exact Mass350.07
IUPAC Nametris(2,6-difluorophenyl)borane
SMILESFc1cccc(F)c1B(c1c(F)cccc1F)c1c(F)cccc1F
InChIInChI=1S/C18H9BF6/c20-10-4-1-5-11(21)16(10)19(17-12(22)6-2-7-13(17)23)18-14(24)8-3-9-15(18)25/h1-9H
InChIKeyJLJPODGFCSCSOY-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 53.04
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(2,6-difluorophenyl)borane?
The IUPAC name of tris(2,6-difluorophenyl)borane (CID 15794326) is tris(2,6-difluorophenyl)borane.
What is the SMILES notation for tris(2,6-difluorophenyl)borane?
The canonical SMILES for tris(2,6-difluorophenyl)borane is Fc1cccc(F)c1B(c1c(F)cccc1F)c1c(F)cccc1F.
What is the InChIKey of tris(2,6-difluorophenyl)borane?
The InChIKey is JLJPODGFCSCSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BF6/c20-10-4-1-5-11(21)16(10)19(17-12(22)6-2-7-13(17)23)18-14(24)8-3-9-15(18)25/h1-9H.
What are the key properties of tris(2,6-difluorophenyl)borane?
tris(2,6-difluorophenyl)borane has a molecular weight of 350.07 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-difluorophenyl)borane is sourced from PubChem (CID 15794326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).