(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane

C20H16BFO2 — CID 11544236

IUPAC(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane
SMILESFc1ccc(B2O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C20H16BFO2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m1/s1
InChIKeyGIKXCZXBZWXXSA-WOJBJXKFSA-N
MW318.16 g/mol
LogP4.05
Rot. Bonds3

About (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane

(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane (PubChem CID 11544236) has the molecular formula C20H16BFO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane
PubChem CID11544236
Molecular FormulaC20H16BFO2
Molecular Weight318.16 g/mol
Exact Mass318.12
IUPAC Name(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane
SMILESFc1ccc(B2O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C20H16BFO2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m1/s1
InChIKeyGIKXCZXBZWXXSA-WOJBJXKFSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane (CID 11544236) is (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane is Fc1ccc(B2O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1.
What is the InChIKey of (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane?
The InChIKey is GIKXCZXBZWXXSA-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H16BFO2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane?
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane has a molecular weight of 318.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11544236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).