fluoro pyridin-1-ium-1-yl trityl borate

C24H20BFNO3+ — CID 56990685

IUPACfluoro pyridin-1-ium-1-yl trityl borate
SMILESFOB(O[n+]1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BFNO3/c26-29-25(30-27-19-11-4-12-20-27)28-24(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H/q+1
InChIKeyAJZNYPFXJZMLHD-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.30
Rot. Bonds8

About fluoro pyridin-1-ium-1-yl trityl borate

fluoro pyridin-1-ium-1-yl trityl borate (PubChem CID 56990685) has the molecular formula C24H20BFNO3+ and a molecular weight of 400.24 g/mol. Its IUPAC name is fluoro pyridin-1-ium-1-yl trityl borate.

Molecular Properties

Compound Namefluoro pyridin-1-ium-1-yl trityl borate
PubChem CID56990685
Molecular FormulaC24H20BFNO3+
Molecular Weight400.24 g/mol
Exact Mass400.15
IUPAC Namefluoro pyridin-1-ium-1-yl trityl borate
SMILESFOB(O[n+]1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BFNO3/c26-29-25(30-27-19-11-4-12-20-27)28-24(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H/q+1
InChIKeyAJZNYPFXJZMLHD-UHFFFAOYSA-N
XLogP4.30
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 199758
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CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
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1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
Benzenemethanol, alpha-phenyl-alpha-(2-(4-pyridinyl)cyclopropyl)-, hydrochloride (1:1)
CID 66260
4-Pyridinecarboxaldehyde, O-(phenylmethyl)oxime
CID 96307
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
o-Benzylnicotinaldoxime
CID 248756
Diphenyl(pyridin-3-yl)methanol
CID 298509
4-Phenyl-1-(phenyl(pyridin-3-yl)methyl)piperidin-4-ol
CID 44426823

Frequently Asked Questions

What is the IUPAC name of fluoro pyridin-1-ium-1-yl trityl borate?
The IUPAC name of fluoro pyridin-1-ium-1-yl trityl borate (CID 56990685) is fluoro pyridin-1-ium-1-yl trityl borate.
What is the SMILES notation for fluoro pyridin-1-ium-1-yl trityl borate?
The canonical SMILES for fluoro pyridin-1-ium-1-yl trityl borate is FOB(O[n+]1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of fluoro pyridin-1-ium-1-yl trityl borate?
The InChIKey is AJZNYPFXJZMLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BFNO3/c26-29-25(30-27-19-11-4-12-20-27)28-24(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20H/q+1.
What are the key properties of fluoro pyridin-1-ium-1-yl trityl borate?
fluoro pyridin-1-ium-1-yl trityl borate has a molecular weight of 400.24 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro pyridin-1-ium-1-yl trityl borate is sourced from PubChem (CID 56990685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).