lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate

C8H4F6LiNO — CID 13183303

IUPAClithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate
SMILES[Li+].[O-]C([n+]1[c-]cccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6NO.Li/c9-7(10,11)6(16,8(12,13)14)15-4-2-1-3-5-15;/h1-4H;/q-1;+1
InChIKeyJKFNDZRPXSSUQE-UHFFFAOYSA-N
MW251.06 g/mol
LogP-2.08
Rot. Bonds1

About lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate

lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate (PubChem CID 13183303) has the molecular formula C8H4F6LiNO and a molecular weight of 251.06 g/mol. Its IUPAC name is lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate.

Molecular Properties

Compound Namelithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate
PubChem CID13183303
Molecular FormulaC8H4F6LiNO
Molecular Weight251.06 g/mol
Exact Mass251.04
IUPAC Namelithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate
SMILES[Li+].[O-]C([n+]1[c-]cccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6NO.Li/c9-7(10,11)6(16,8(12,13)14)15-4-2-1-3-5-15;/h1-4H;/q-1;+1
InChIKeyJKFNDZRPXSSUQE-UHFFFAOYSA-N
XLogP-2.08
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.06
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate 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 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate?
The IUPAC name of lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate (CID 13183303) is lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate.
What is the SMILES notation for lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate?
The canonical SMILES for lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate is [Li+].[O-]C([n+]1[c-]cccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate?
The InChIKey is JKFNDZRPXSSUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6NO.Li/c9-7(10,11)6(16,8(12,13)14)15-4-2-1-3-5-15;/h1-4H;/q-1;+1.
What are the key properties of lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate?
lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate has a molecular weight of 251.06 g/mol, XLogP of -2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate is sourced from PubChem (CID 13183303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).