fluoro(trityloxy)borinic acid

C19H16BFO2 — CID 53443390

IUPACfluoro(trityloxy)borinic acid
SMILESOB(F)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16BFO2/c21-20(22)23-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,22H
InChIKeyQTXVPGNGLWGPIM-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.94
Rot. Bonds5

About fluoro(trityloxy)borinic acid

fluoro(trityloxy)borinic acid (PubChem CID 53443390) has the molecular formula C19H16BFO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is fluoro(trityloxy)borinic acid.

Molecular Properties

Compound Namefluoro(trityloxy)borinic acid
PubChem CID53443390
Molecular FormulaC19H16BFO2
Molecular Weight306.15 g/mol
Exact Mass306.12
IUPAC Namefluoro(trityloxy)borinic acid
SMILESOB(F)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16BFO2/c21-20(22)23-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,22H
InChIKeyQTXVPGNGLWGPIM-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;phenoxy(trityloxy)borinic acid
CID 173204467
trityl(ditrityloxy)borane
CID 141397668
trityloxysilane
CID 123809456
trityl hypobromite
CID 21394946
CID 67364349
CID 67364349
(2-methyl-1,1,1-triphenylpropan-2-yl)oxyboronic acid
CID 57180944
4-[[(4-hydroxyphenyl)-diphenylmethoxy]-diphenylmethyl]phenol
CID 91006849
ditrityloxytin
CID 177426168
O-trityl ethanethioate
CID 3057355
CID 174762145
CID 174762145
ditrityl but-2-enedioate
CID 54115376
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911

Frequently Asked Questions

What is the IUPAC name of fluoro(trityloxy)borinic acid?
The IUPAC name of fluoro(trityloxy)borinic acid (CID 53443390) is fluoro(trityloxy)borinic acid.
What is the SMILES notation for fluoro(trityloxy)borinic acid?
The canonical SMILES for fluoro(trityloxy)borinic acid is OB(F)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of fluoro(trityloxy)borinic acid?
The InChIKey is QTXVPGNGLWGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BFO2/c21-20(22)23-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,22H.
What are the key properties of fluoro(trityloxy)borinic acid?
fluoro(trityloxy)borinic acid has a molecular weight of 306.15 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(trityloxy)borinic acid is sourced from PubChem (CID 53443390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).