tris(3,4,5-trifluorophenyl)borane

C18H6BF9 — CID 15794329

IUPACtris(3,4,5-trifluorophenyl)borane
SMILESFc1cc(B(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)cc(F)c1F
InChIInChI=1S/C18H6BF9/c20-10-1-7(2-11(21)16(10)26)19(8-3-12(22)17(27)13(23)4-8)9-5-14(24)18(28)15(25)6-9/h1-6H
InChIKeyLKNHGIFPRLUGEG-UHFFFAOYSA-N
MW404.04 g/mol
LogP3.45
Rot. Bonds3

About tris(3,4,5-trifluorophenyl)borane

tris(3,4,5-trifluorophenyl)borane (PubChem CID 15794329) has the molecular formula C18H6BF9 and a molecular weight of 404.04 g/mol. Its IUPAC name is tris(3,4,5-trifluorophenyl)borane.

Molecular Properties

Compound Nametris(3,4,5-trifluorophenyl)borane
PubChem CID15794329
Molecular FormulaC18H6BF9
Molecular Weight404.04 g/mol
Exact Mass404.04
IUPAC Nametris(3,4,5-trifluorophenyl)borane
SMILESFc1cc(B(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)cc(F)c1F
InChIInChI=1S/C18H6BF9/c20-10-1-7(2-11(21)16(10)26)19(8-3-12(22)17(27)13(23)4-8)9-5-14(24)18(28)15(25)6-9/h1-6H
InChIKeyLKNHGIFPRLUGEG-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.04
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(3,4,5-trifluorophenyl)borane?
The IUPAC name of tris(3,4,5-trifluorophenyl)borane (CID 15794329) is tris(3,4,5-trifluorophenyl)borane.
What is the SMILES notation for tris(3,4,5-trifluorophenyl)borane?
The canonical SMILES for tris(3,4,5-trifluorophenyl)borane is Fc1cc(B(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)cc(F)c1F.
What is the InChIKey of tris(3,4,5-trifluorophenyl)borane?
The InChIKey is LKNHGIFPRLUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6BF9/c20-10-1-7(2-11(21)16(10)26)19(8-3-12(22)17(27)13(23)4-8)9-5-14(24)18(28)15(25)6-9/h1-6H.
What are the key properties of tris(3,4,5-trifluorophenyl)borane?
tris(3,4,5-trifluorophenyl)borane has a molecular weight of 404.04 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,4,5-trifluorophenyl)borane is sourced from PubChem (CID 15794329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).