lithium;2-chloroethenol;hydride

C2H4ClLiO — CID 173444450

IUPAClithium;2-chloroethenol;hydride
SMILESOC=CCl.[H-].[Li+]
InChIInChI=1S/C2H3ClO.Li.H/c3-1-2-4;;/h1-2,4H;;/q;+1;-1
InChIKeyANOOMRBZDLWLJO-UHFFFAOYSA-N
MW86.45 g/mol
LogP-1.63
Rot. Bonds

About lithium;2-chloroethenol;hydride

lithium;2-chloroethenol;hydride (PubChem CID 173444450) has the molecular formula C2H4ClLiO and a molecular weight of 86.45 g/mol. Its IUPAC name is lithium;2-chloroethenol;hydride.

Molecular Properties

Compound Namelithium;2-chloroethenol;hydride
PubChem CID173444450
Molecular FormulaC2H4ClLiO
Molecular Weight86.45 g/mol
Exact Mass86.01
IUPAC Namelithium;2-chloroethenol;hydride
SMILESOC=CCl.[H-].[Li+]
InChIInChI=1S/C2H3ClO.Li.H/c3-1-2-4;;/h1-2,4H;;/q;+1;-1
InChIKeyANOOMRBZDLWLJO-UHFFFAOYSA-N
XLogP-1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.45
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze lithium;2-chloroethenol;hydride with MolForge

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

Launch Full Analysis

Related Compounds

(E)-2-chloroethenol
CID 13201918
2-chloroethenol;dioxosilane
CID 174646146
Bismuth, compd. with lithium (1:1)
CID 139596898
lithium;cobalt;formic acid;hydride
CID 174759149
(E)-2,3-dichloroprop-2-ene-1-sulfonamide
CID 139720182
beryllium;potassium;cadmium;hydride
CID 173400689
beryllium;lithium;sodium;hydride
CID 174858497
CID 173445871
CID 173445871
lithium;erbium;hydride;ytterbium
CID 174937663
3-chloroprop-2-enyl trifluoromethanesulfonate
CID 87864417
(Z)-2-dimethylphosphanylethenol
CID 58517827
2-chloroethenylsilane
CID 71317667

Frequently Asked Questions

What is the IUPAC name of lithium;2-chloroethenol;hydride?
The IUPAC name of lithium;2-chloroethenol;hydride (CID 173444450) is lithium;2-chloroethenol;hydride.
What is the SMILES notation for lithium;2-chloroethenol;hydride?
The canonical SMILES for lithium;2-chloroethenol;hydride is OC=CCl.[H-].[Li+].
What is the InChIKey of lithium;2-chloroethenol;hydride?
The InChIKey is ANOOMRBZDLWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO.Li.H/c3-1-2-4;;/h1-2,4H;;/q;+1;-1.
What are the key properties of lithium;2-chloroethenol;hydride?
lithium;2-chloroethenol;hydride has a molecular weight of 86.45 g/mol, XLogP of -1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-chloroethenol;hydride is sourced from PubChem (CID 173444450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).