lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride

C3H3BF3LiO6 — CID 175001706

IUPAClithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride
SMILESO=C(CC(=O)OB(OF)OF)OF.[H-].[Li+]
InChIInChI=1S/C3H2BF3O6.Li.H/c5-11-3(9)1-2(8)10-4(12-6)13-7;;/h1H2;;/q;+1;-1
InChIKeyPFGUYNINZHLCEM-UHFFFAOYSA-N
MW209.80 g/mol
LogP-2.75
Rot. Bonds5

About lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride

lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride (PubChem CID 175001706) has the molecular formula C3H3BF3LiO6 and a molecular weight of 209.80 g/mol. Its IUPAC name is lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride.

Molecular Properties

Compound Namelithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride
PubChem CID175001706
Molecular FormulaC3H3BF3LiO6
Molecular Weight209.80 g/mol
Exact Mass210.01
IUPAC Namelithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride
SMILESO=C(CC(=O)OB(OF)OF)OF.[H-].[Li+]
InChIInChI=1S/C3H2BF3O6.Li.H/c5-11-3(9)1-2(8)10-4(12-6)13-7;;/h1H2;;/q;+1;-1
InChIKeyPFGUYNINZHLCEM-UHFFFAOYSA-N
XLogP-2.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.80
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride?
The IUPAC name of lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride (CID 175001706) is lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride.
What is the SMILES notation for lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride?
The canonical SMILES for lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride is O=C(CC(=O)OB(OF)OF)OF.[H-].[Li+].
What is the InChIKey of lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride?
The InChIKey is PFGUYNINZHLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BF3O6.Li.H/c5-11-3(9)1-2(8)10-4(12-6)13-7;;/h1H2;;/q;+1;-1.
What are the key properties of lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride?
lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride has a molecular weight of 209.80 g/mol, XLogP of -2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride is sourced from PubChem (CID 175001706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).