lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide

C8HBF12LiO8- — CID 173195511

IUPAClithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide
SMILESO=C(O[B-](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C8BF12O8.Li.H/c10-5(11,12)1(22)26-9(27-2(23)6(13,14)15,28-3(24)7(16,17)18)29-4(25)8(19,20)21;;/q-1;+1;-1
InChIKeyCJUUSLRBLKIECD-UHFFFAOYSA-N
MW470.82 g/mol
LogP-1.04
Rot. Bonds4

About lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide

lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide (PubChem CID 173195511) has the molecular formula C8HBF12LiO8- and a molecular weight of 470.82 g/mol. Its IUPAC name is lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide.

Molecular Properties

Compound Namelithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide
PubChem CID173195511
Molecular FormulaC8HBF12LiO8-
Molecular Weight470.82 g/mol
Exact Mass470.97
IUPAC Namelithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide
SMILESO=C(O[B-](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C8BF12O8.Li.H/c10-5(11,12)1(22)26-9(27-2(23)6(13,14)15,28-3(24)7(16,17)18)29-4(25)8(19,20)21;;/q-1;+1;-1
InChIKeyCJUUSLRBLKIECD-UHFFFAOYSA-N
XLogP-1.04
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.82
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide?
The IUPAC name of lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide (CID 173195511) is lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide.
What is the SMILES notation for lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide?
The canonical SMILES for lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide is O=C(O[B-](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide?
The InChIKey is CJUUSLRBLKIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8BF12O8.Li.H/c10-5(11,12)1(22)26-9(27-2(23)6(13,14)15,28-3(24)7(16,17)18)29-4(25)8(19,20)21;;/q-1;+1;-1.
What are the key properties of lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide?
lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide has a molecular weight of 470.82 g/mol, XLogP of -1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide is sourced from PubChem (CID 173195511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).