potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane

C62H51B4F4KO5 — CID 160962009

IUPACpotassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane
SMILESFc1ccc([B-](F)(F)c2ccc(-c3ccccc3)cc2)cc1.OB(O)c1ccc(-c2ccccc2)cc1.OB(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.[K+].c1ccc(-c2ccc(B3OCCO3)cc2)cc1
InChIInChI=1S/C18H13BF3.C18H14BFO.C14H13BO2.C12H11BO2.K/c20-18-12-10-17(11-13-18)19(21,22)16-8-6-15(7-9-16)14-4-2-1-3-5-14;20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-16-10-11-17-15;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-13H;1-13,21H;1-9H,10-11H2;1-9,14-15H;/q-1;;;;+1
InChIKeyVPAAFAYNACWYMU-UHFFFAOYSA-N
MW1034.42 g/mol
LogP6.71
Rot. Bonds10

About potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane

potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane (PubChem CID 160962009) has the molecular formula C62H51B4F4KO5 and a molecular weight of 1034.42 g/mol. Its IUPAC name is potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Namepotassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane
PubChem CID160962009
Molecular FormulaC62H51B4F4KO5
Molecular Weight1034.42 g/mol
Exact Mass1034.37
IUPAC Namepotassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane
SMILESFc1ccc([B-](F)(F)c2ccc(-c3ccccc3)cc2)cc1.OB(O)c1ccc(-c2ccccc2)cc1.OB(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.[K+].c1ccc(-c2ccc(B3OCCO3)cc2)cc1
InChIInChI=1S/C18H13BF3.C18H14BFO.C14H13BO2.C12H11BO2.K/c20-18-12-10-17(11-13-18)19(21,22)16-8-6-15(7-9-16)14-4-2-1-3-5-14;20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-16-10-11-17-15;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-13H;1-13,21H;1-9H,10-11H2;1-9,14-15H;/q-1;;;;+1
InChIKeyVPAAFAYNACWYMU-UHFFFAOYSA-N
XLogP6.71
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.42
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane (CID 160962009) is potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane is Fc1ccc([B-](F)(F)c2ccc(-c3ccccc3)cc2)cc1.OB(O)c1ccc(-c2ccccc2)cc1.OB(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.[K+].c1ccc(-c2ccc(B3OCCO3)cc2)cc1.
What is the InChIKey of potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane?
The InChIKey is VPAAFAYNACWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BF3.C18H14BFO.C14H13BO2.C12H11BO2.K/c20-18-12-10-17(11-13-18)19(21,22)16-8-6-15(7-9-16)14-4-2-1-3-5-14;20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-16-10-11-17-15;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-13H;1-13,21H;1-9H,10-11H2;1-9,14-15H;/q-1;;;;+1.
What are the key properties of potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane?
potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane has a molecular weight of 1034.42 g/mol, XLogP of 6.71, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide;(4-fluorophenyl)-(4-phenylphenyl)borinic acid;(4-phenylphenyl)boronic acid;2-(4-phenylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160962009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).