azane;difluoroborinic acid;oxalic acid

C2H12BF2N3O5 — CID 175525929

IUPACazane;difluoroborinic acid;oxalic acid
SMILESN.N.N.O=C(O)C(=O)O.OB(F)F
InChIInChI=1S/C2H2O4.BF2HO.3H3N/c3-1(4)2(5)6;2-1(3)4;;;/h(H,3,4)(H,5,6);4H;3*1H3
InChIKeyMKHHSRGEZVTOHP-UHFFFAOYSA-N
MW206.94 g/mol
LogP-0.46
Rot. Bonds

About azane;difluoroborinic acid;oxalic acid

azane;difluoroborinic acid;oxalic acid (PubChem CID 175525929) has the molecular formula C2H12BF2N3O5 and a molecular weight of 206.94 g/mol. Its IUPAC name is azane;difluoroborinic acid;oxalic acid.

Molecular Properties

Compound Nameazane;difluoroborinic acid;oxalic acid
PubChem CID175525929
Molecular FormulaC2H12BF2N3O5
Molecular Weight206.94 g/mol
Exact Mass207.08
IUPAC Nameazane;difluoroborinic acid;oxalic acid
SMILESN.N.N.O=C(O)C(=O)O.OB(F)F
InChIInChI=1S/C2H2O4.BF2HO.3H3N/c3-1(4)2(5)6;2-1(3)4;;;/h(H,3,4)(H,5,6);4H;3*1H3
InChIKeyMKHHSRGEZVTOHP-UHFFFAOYSA-N
XLogP-0.46
TPSA199.83 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.94
LogP ≤ 5-0.46
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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Frequently Asked Questions

What is the IUPAC name of azane;difluoroborinic acid;oxalic acid?
The IUPAC name of azane;difluoroborinic acid;oxalic acid (CID 175525929) is azane;difluoroborinic acid;oxalic acid.
What is the SMILES notation for azane;difluoroborinic acid;oxalic acid?
The canonical SMILES for azane;difluoroborinic acid;oxalic acid is N.N.N.O=C(O)C(=O)O.OB(F)F.
What is the InChIKey of azane;difluoroborinic acid;oxalic acid?
The InChIKey is MKHHSRGEZVTOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.BF2HO.3H3N/c3-1(4)2(5)6;2-1(3)4;;;/h(H,3,4)(H,5,6);4H;3*1H3.
What are the key properties of azane;difluoroborinic acid;oxalic acid?
azane;difluoroborinic acid;oxalic acid has a molecular weight of 206.94 g/mol, XLogP of -0.46, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;difluoroborinic acid;oxalic acid is sourced from PubChem (CID 175525929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).