bis(4-fluorophenyl)-propan-2-yloxyborane

C15H15BF2O — CID 11086483

IUPACbis(4-fluorophenyl)-propan-2-yloxyborane
SMILESCC(C)OB(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15BF2O/c1-11(2)19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11H,1-2H3
InChIKeyXJYDNDFZPODFJB-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.50
Rot. Bonds4

About bis(4-fluorophenyl)-propan-2-yloxyborane

bis(4-fluorophenyl)-propan-2-yloxyborane (PubChem CID 11086483) has the molecular formula C15H15BF2O and a molecular weight of 260.09 g/mol. Its IUPAC name is bis(4-fluorophenyl)-propan-2-yloxyborane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-propan-2-yloxyborane
PubChem CID11086483
Molecular FormulaC15H15BF2O
Molecular Weight260.09 g/mol
Exact Mass260.12
IUPAC Namebis(4-fluorophenyl)-propan-2-yloxyborane
SMILESCC(C)OB(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15BF2O/c1-11(2)19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11H,1-2H3
InChIKeyXJYDNDFZPODFJB-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 bis(4-fluorophenyl)-propan-2-yloxyborane?
The IUPAC name of bis(4-fluorophenyl)-propan-2-yloxyborane (CID 11086483) is bis(4-fluorophenyl)-propan-2-yloxyborane.
What is the SMILES notation for bis(4-fluorophenyl)-propan-2-yloxyborane?
The canonical SMILES for bis(4-fluorophenyl)-propan-2-yloxyborane is CC(C)OB(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-propan-2-yloxyborane?
The InChIKey is XJYDNDFZPODFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BF2O/c1-11(2)19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11H,1-2H3.
What are the key properties of bis(4-fluorophenyl)-propan-2-yloxyborane?
bis(4-fluorophenyl)-propan-2-yloxyborane has a molecular weight of 260.09 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-propan-2-yloxyborane is sourced from PubChem (CID 11086483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).