(4-fluorophenyl)-diphenylborane

C18H14BF — CID 57046052

IUPAC(4-fluorophenyl)-diphenylborane
SMILESFc1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BF/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeySTLCJTYGXNQRJS-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.34
Rot. Bonds3

About (4-fluorophenyl)-diphenylborane

(4-fluorophenyl)-diphenylborane (PubChem CID 57046052) has the molecular formula C18H14BF and a molecular weight of 260.12 g/mol. Its IUPAC name is (4-fluorophenyl)-diphenylborane.

Molecular Properties

Compound Name(4-fluorophenyl)-diphenylborane
PubChem CID57046052
Molecular FormulaC18H14BF
Molecular Weight260.12 g/mol
Exact Mass260.12
IUPAC Name(4-fluorophenyl)-diphenylborane
SMILESFc1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14BF/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeySTLCJTYGXNQRJS-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.34
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 (4-fluorophenyl)-diphenylborane?
The IUPAC name of (4-fluorophenyl)-diphenylborane (CID 57046052) is (4-fluorophenyl)-diphenylborane.
What is the SMILES notation for (4-fluorophenyl)-diphenylborane?
The canonical SMILES for (4-fluorophenyl)-diphenylborane is Fc1ccc(B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-fluorophenyl)-diphenylborane?
The InChIKey is STLCJTYGXNQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BF/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H.
What are the key properties of (4-fluorophenyl)-diphenylborane?
(4-fluorophenyl)-diphenylborane has a molecular weight of 260.12 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-diphenylborane is sourced from PubChem (CID 57046052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).