boric acid;oxalic acid;2,2,2-trifluoroacetic acid

C4H6BF3O9 — CID 172730850

IUPACboric acid;oxalic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(=O)O.O=C(O)C(F)(F)F.OB(O)O
InChIInChI=1S/C2HF3O2.C2H2O4.BH3O3/c3-2(4,5)1(6)7;3-1(4)2(5)6;2-1(3)4/h(H,6,7);(H,3,4)(H,5,6);2-4H
InChIKeyHTSKFUBUQCYGQT-UHFFFAOYSA-N
MW265.89 g/mol
LogP-2.26
Rot. Bonds

About boric acid;oxalic acid;2,2,2-trifluoroacetic acid

boric acid;oxalic acid;2,2,2-trifluoroacetic acid (PubChem CID 172730850) has the molecular formula C4H6BF3O9 and a molecular weight of 265.89 g/mol. Its IUPAC name is boric acid;oxalic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameboric acid;oxalic acid;2,2,2-trifluoroacetic acid
PubChem CID172730850
Molecular FormulaC4H6BF3O9
Molecular Weight265.89 g/mol
Exact Mass266.01
IUPAC Nameboric acid;oxalic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(=O)O.O=C(O)C(F)(F)F.OB(O)O
InChIInChI=1S/C2HF3O2.C2H2O4.BH3O3/c3-2(4,5)1(6)7;3-1(4)2(5)6;2-1(3)4/h(H,6,7);(H,3,4)(H,5,6);2-4H
InChIKeyHTSKFUBUQCYGQT-UHFFFAOYSA-N
XLogP-2.26
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.89
LogP ≤ 5-2.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
oxalic acid;phosphoric acid;tris(2,2,2-trifluoroacetic acid)
CID 175180112
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506

Frequently Asked Questions

What is the IUPAC name of boric acid;oxalic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of boric acid;oxalic acid;2,2,2-trifluoroacetic acid (CID 172730850) is boric acid;oxalic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for boric acid;oxalic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for boric acid;oxalic acid;2,2,2-trifluoroacetic acid is O=C(O)C(=O)O.O=C(O)C(F)(F)F.OB(O)O.
What is the InChIKey of boric acid;oxalic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HTSKFUBUQCYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H2O4.BH3O3/c3-2(4,5)1(6)7;3-1(4)2(5)6;2-1(3)4/h(H,6,7);(H,3,4)(H,5,6);2-4H.
What are the key properties of boric acid;oxalic acid;2,2,2-trifluoroacetic acid?
boric acid;oxalic acid;2,2,2-trifluoroacetic acid has a molecular weight of 265.89 g/mol, XLogP of -2.26, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;oxalic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172730850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).