dilithium;(4-fluorophenoxy)-dioxidoborane

C6H4BFLi2O3 — CID 158204186

IUPACdilithium;(4-fluorophenoxy)-dioxidoborane
SMILES[Li+].[Li+].[O-]B([O-])Oc1ccc(F)cc1
InChIInChI=1S/C6H4BFO3.2Li/c8-5-1-3-6(4-2-5)11-7(9)10;;/h1-4H;;/q-2;2*+1
InChIKeyGBHHPRSVJVAIDY-UHFFFAOYSA-N
MW167.79 g/mol
LogP-7.08
Rot. Bonds2

About dilithium;(4-fluorophenoxy)-dioxidoborane

dilithium;(4-fluorophenoxy)-dioxidoborane (PubChem CID 158204186) has the molecular formula C6H4BFLi2O3 and a molecular weight of 167.79 g/mol. Its IUPAC name is dilithium;(4-fluorophenoxy)-dioxidoborane.

Molecular Properties

Compound Namedilithium;(4-fluorophenoxy)-dioxidoborane
PubChem CID158204186
Molecular FormulaC6H4BFLi2O3
Molecular Weight167.79 g/mol
Exact Mass168.06
IUPAC Namedilithium;(4-fluorophenoxy)-dioxidoborane
SMILES[Li+].[Li+].[O-]B([O-])Oc1ccc(F)cc1
InChIInChI=1S/C6H4BFO3.2Li/c8-5-1-3-6(4-2-5)11-7(9)10;;/h1-4H;;/q-2;2*+1
InChIKeyGBHHPRSVJVAIDY-UHFFFAOYSA-N
XLogP-7.08
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.79
LogP ≤ 5-7.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;(4-methylphenoxy)-dioxidoborane
CID 159840403
aminooxy-(4-fluorophenoxy)borinic acid
CID 175593110
2,3-dimethylbutane-2,3-diol;(4-fluorophenoxy)boronic acid
CID 175564646
(4-fluorophenyl) hypobromite
CID 19745276
(4-fluorophenyl) phenyl carbonate
CID 555788
dioxido(phenoxy)borane;bis(tetramethylazanium)
CID 70151362
1-fluoro-4-methanidyloxybenzene;yttrium
CID 163392701
1,4-difluorobenzene bromide
CID 21301175
(4-fluorophenoxy)boronic acid;propane-1,2-diol
CID 175345760
1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 5304101
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558

Frequently Asked Questions

What is the IUPAC name of dilithium;(4-fluorophenoxy)-dioxidoborane?
The IUPAC name of dilithium;(4-fluorophenoxy)-dioxidoborane (CID 158204186) is dilithium;(4-fluorophenoxy)-dioxidoborane.
What is the SMILES notation for dilithium;(4-fluorophenoxy)-dioxidoborane?
The canonical SMILES for dilithium;(4-fluorophenoxy)-dioxidoborane is [Li+].[Li+].[O-]B([O-])Oc1ccc(F)cc1.
What is the InChIKey of dilithium;(4-fluorophenoxy)-dioxidoborane?
The InChIKey is GBHHPRSVJVAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BFO3.2Li/c8-5-1-3-6(4-2-5)11-7(9)10;;/h1-4H;;/q-2;2*+1.
What are the key properties of dilithium;(4-fluorophenoxy)-dioxidoborane?
dilithium;(4-fluorophenoxy)-dioxidoborane has a molecular weight of 167.79 g/mol, XLogP of -7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(4-fluorophenoxy)-dioxidoborane is sourced from PubChem (CID 158204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).