bis(trifluoromethyl) oxalate;boric acid

C4H3BF6O7 — CID 174985556

IUPACbis(trifluoromethyl) oxalate;boric acid
SMILESO=C(OC(F)(F)F)C(=O)OC(F)(F)F.OB(O)O
InChIInChI=1S/C4F6O4.BH3O3/c5-3(6,7)13-1(11)2(12)14-4(8,9)10;2-1(3)4/h;2-4H
InChIKeyLGDPCHVVZUBGKT-UHFFFAOYSA-N
MW287.86 g/mol
LogP-0.94
Rot. Bonds

About bis(trifluoromethyl) oxalate;boric acid

bis(trifluoromethyl) oxalate;boric acid (PubChem CID 174985556) has the molecular formula C4H3BF6O7 and a molecular weight of 287.86 g/mol. Its IUPAC name is bis(trifluoromethyl) oxalate;boric acid.

Molecular Properties

Compound Namebis(trifluoromethyl) oxalate;boric acid
PubChem CID174985556
Molecular FormulaC4H3BF6O7
Molecular Weight287.86 g/mol
Exact Mass287.99
IUPAC Namebis(trifluoromethyl) oxalate;boric acid
SMILESO=C(OC(F)(F)F)C(=O)OC(F)(F)F.OB(O)O
InChIInChI=1S/C4F6O4.BH3O3/c5-3(6,7)13-1(11)2(12)14-4(8,9)10;2-1(3)4/h;2-4H
InChIKeyLGDPCHVVZUBGKT-UHFFFAOYSA-N
XLogP-0.94
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethyl) oxalate;boric acid?
The IUPAC name of bis(trifluoromethyl) oxalate;boric acid (CID 174985556) is bis(trifluoromethyl) oxalate;boric acid.
What is the SMILES notation for bis(trifluoromethyl) oxalate;boric acid?
The canonical SMILES for bis(trifluoromethyl) oxalate;boric acid is O=C(OC(F)(F)F)C(=O)OC(F)(F)F.OB(O)O.
What is the InChIKey of bis(trifluoromethyl) oxalate;boric acid?
The InChIKey is LGDPCHVVZUBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O4.BH3O3/c5-3(6,7)13-1(11)2(12)14-4(8,9)10;2-1(3)4/h;2-4H.
What are the key properties of bis(trifluoromethyl) oxalate;boric acid?
bis(trifluoromethyl) oxalate;boric acid has a molecular weight of 287.86 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethyl) oxalate;boric acid is sourced from PubChem (CID 174985556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).