CID 87074036

C2H3BF2LiO7 — CID 87074036

IUPAC—
SMILESO=C(OF)C(=O)OF.OB(O)O.[Li]
InChIInChI=1S/C2F2O4.BH3O3.Li/c3-7-1(5)2(6)8-4;2-1(3)4;/h;2-4H;
InChIKeySOHBHOFMMCSVMW-UHFFFAOYSA-N
MW194.79 g/mol
LogP-2.59
Rot. Bonds

About CID 87074036

CID 87074036 (PubChem CID 87074036) has the molecular formula C2H3BF2LiO7 and a molecular weight of 194.79 g/mol.

Molecular Properties

Compound NameCID 87074036
PubChem CID87074036
Molecular FormulaC2H3BF2LiO7
Molecular Weight194.79 g/mol
Exact Mass195.01
IUPAC Name—
SMILESO=C(OF)C(=O)OF.OB(O)O.[Li]
InChIInChI=1S/C2F2O4.BH3O3.Li/c3-7-1(5)2(6)8-4;2-1(3)4;/h;2-4H;
InChIKeySOHBHOFMMCSVMW-UHFFFAOYSA-N
XLogP-2.59
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.79
LogP ≤ 5-2.59
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 CID 87074036?
The IUPAC name of CID 87074036 (CID 87074036) is not available.
What is the SMILES notation for CID 87074036?
The canonical SMILES for CID 87074036 is O=C(OF)C(=O)OF.OB(O)O.[Li].
What is the InChIKey of CID 87074036?
The InChIKey is SOHBHOFMMCSVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F2O4.BH3O3.Li/c3-7-1(5)2(6)8-4;2-1(3)4;/h;2-4H;.
What are the key properties of CID 87074036?
CID 87074036 has a molecular weight of 194.79 g/mol, XLogP of -2.59, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87074036 is sourced from PubChem (CID 87074036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).