bromo(chloro)methane;dichloromethane

C2H4BrCl3 — CID 88747563

IUPACbromo(chloro)methane;dichloromethane
SMILESClCBr.ClCCl
InChIInChI=1S/CH2BrCl.CH2Cl2/c2*2-1-3/h2*1H2
InChIKeyJVTCOQLQLJDRBC-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.00
Rot. Bonds

About bromo(chloro)methane;dichloromethane

bromo(chloro)methane;dichloromethane (PubChem CID 88747563) has the molecular formula C2H4BrCl3 and a molecular weight of 214.32 g/mol. Its IUPAC name is bromo(chloro)methane;dichloromethane.

Molecular Properties

Compound Namebromo(chloro)methane;dichloromethane
PubChem CID88747563
Molecular FormulaC2H4BrCl3
Molecular Weight214.32 g/mol
Exact Mass211.86
IUPAC Namebromo(chloro)methane;dichloromethane
SMILESClCBr.ClCCl
InChIInChI=1S/CH2BrCl.CH2Cl2/c2*2-1-3/h2*1H2
InChIKeyJVTCOQLQLJDRBC-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(chloro)methane;dichloromethane?
The IUPAC name of bromo(chloro)methane;dichloromethane (CID 88747563) is bromo(chloro)methane;dichloromethane.
What is the SMILES notation for bromo(chloro)methane;dichloromethane?
The canonical SMILES for bromo(chloro)methane;dichloromethane is ClCBr.ClCCl.
What is the InChIKey of bromo(chloro)methane;dichloromethane?
The InChIKey is JVTCOQLQLJDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2BrCl.CH2Cl2/c2*2-1-3/h2*1H2.
What are the key properties of bromo(chloro)methane;dichloromethane?
bromo(chloro)methane;dichloromethane has a molecular weight of 214.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(chloro)methane;dichloromethane is sourced from PubChem (CID 88747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).