lithium;dichloromethane;bromide

CH2BrCl2Li — CID 174868650

IUPAClithium;dichloromethane;bromide
SMILESClCCl.[Br-].[Li+]
InChIInChI=1S/CH2Cl2.BrH.Li/c2-1-3;;/h1H2;1H;/q;;+1/p-1
InChIKeyQNLQEYLSUMVADJ-UHFFFAOYSA-M
MW171.78 g/mol
LogP-4.57
Rot. Bonds

About lithium;dichloromethane;bromide

lithium;dichloromethane;bromide (PubChem CID 174868650) has the molecular formula CH2BrCl2Li and a molecular weight of 171.78 g/mol. Its IUPAC name is lithium;dichloromethane;bromide.

Molecular Properties

Compound Namelithium;dichloromethane;bromide
PubChem CID174868650
Molecular FormulaCH2BrCl2Li
Molecular Weight171.78 g/mol
Exact Mass169.89
IUPAC Namelithium;dichloromethane;bromide
SMILESClCCl.[Br-].[Li+]
InChIInChI=1S/CH2Cl2.BrH.Li/c2-1-3;;/h1H2;1H;/q;;+1/p-1
InChIKeyQNLQEYLSUMVADJ-UHFFFAOYSA-M
XLogP-4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.78
LogP ≤ 5-4.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 87274674
CID 87274674
dichloromethane;proton
CID 174889445
dichloromethane;germane
CID 174557663
(dichloromethane);pentacontahydrate
CID 173399237
dichloromethane;zinc;hydrochloride
CID 174925220
(1,2-dichloroethane);(dichloromethane)
CID 173324905
dichloromethane;molecular nitrogen
CID 87488585
dichloromethane;methane;sulfuryl dichloride
CID 174545901
(dichloromethane);methanol
CID 173151406
sodium;dichloromethane;hydride;hydrate
CID 174866701
dichloromethane;trichlorogold
CID 160543212
bromo(chloro)methane;dichloromethane
CID 88747563

Frequently Asked Questions

What is the IUPAC name of lithium;dichloromethane;bromide?
The IUPAC name of lithium;dichloromethane;bromide (CID 174868650) is lithium;dichloromethane;bromide.
What is the SMILES notation for lithium;dichloromethane;bromide?
The canonical SMILES for lithium;dichloromethane;bromide is ClCCl.[Br-].[Li+].
What is the InChIKey of lithium;dichloromethane;bromide?
The InChIKey is QNLQEYLSUMVADJ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2Cl2.BrH.Li/c2-1-3;;/h1H2;1H;/q;;+1/p-1.
What are the key properties of lithium;dichloromethane;bromide?
lithium;dichloromethane;bromide has a molecular weight of 171.78 g/mol, XLogP of -4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dichloromethane;bromide is sourced from PubChem (CID 174868650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).