lithium 1,1-dibromoethane

C2H3Br2Li — CID 134872057

IUPAClithium 1,1-dibromoethane
SMILES[CH2-]C(Br)Br.[Li+]
InChIInChI=1S/C2H3Br2.Li/c1-2(3)4;/h2H,1H2;/q-1;+1
InChIKeyLHANTDIZRVOFIV-UHFFFAOYSA-N
MW193.79 g/mol
LogP-1.06
Rot. Bonds

About lithium 1,1-dibromoethane

lithium 1,1-dibromoethane (PubChem CID 134872057) has the molecular formula C2H3Br2Li and a molecular weight of 193.79 g/mol. Its IUPAC name is lithium 1,1-dibromoethane.

Molecular Properties

Compound Namelithium 1,1-dibromoethane
PubChem CID134872057
Molecular FormulaC2H3Br2Li
Molecular Weight193.79 g/mol
Exact Mass191.88
IUPAC Namelithium 1,1-dibromoethane
SMILES[CH2-]C(Br)Br.[Li+]
InChIInChI=1S/C2H3Br2.Li/c1-2(3)4;/h2H,1H2;/q-1;+1
InChIKeyLHANTDIZRVOFIV-UHFFFAOYSA-N
XLogP-1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.79
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-Tribromoethane
CID 66222
1,2-Dibromoethane;rutherfordium
CID 58657894
CID 12614950
CID 12614950
CID 57425976
CID 57425976
CID 86090178
CID 86090178

Frequently Asked Questions

What is the IUPAC name of lithium 1,1-dibromoethane?
The IUPAC name of lithium 1,1-dibromoethane (CID 134872057) is lithium 1,1-dibromoethane.
What is the SMILES notation for lithium 1,1-dibromoethane?
The canonical SMILES for lithium 1,1-dibromoethane is [CH2-]C(Br)Br.[Li+].
What is the InChIKey of lithium 1,1-dibromoethane?
The InChIKey is LHANTDIZRVOFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br2.Li/c1-2(3)4;/h2H,1H2;/q-1;+1.
What are the key properties of lithium 1,1-dibromoethane?
lithium 1,1-dibromoethane has a molecular weight of 193.79 g/mol, XLogP of -1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1-dibromoethane is sourced from PubChem (CID 134872057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).