dibromo(dichloro)methane

CBr2Cl2 — CID 11659

IUPACdibromo(dichloro)methane
SMILESClC(Cl)(Br)Br
InChIInChI=1S/CBr2Cl2/c2-1(3,4)5
InChIKeyIHUREIPXVFKEDT-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.87
Rot. Bonds

About dibromo(dichloro)methane

dibromo(dichloro)methane (PubChem CID 11659) has the molecular formula CBr2Cl2 and a molecular weight of 242.72 g/mol. Its IUPAC name is dibromo(dichloro)methane.

Molecular Properties

Compound Namedibromo(dichloro)methane
PubChem CID11659
Molecular FormulaCBr2Cl2
Molecular Weight242.72 g/mol
Exact Mass239.77
IUPAC Namedibromo(dichloro)methane
SMILESClC(Cl)(Br)Br
InChIInChI=1S/CBr2Cl2/c2-1(3,4)5
InChIKeyIHUREIPXVFKEDT-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.87
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

Bromotrichloromethane
CID 6383
Bromotrichloromethane-13C, 99 atom % D
CID 71309025
Dibromo-chloro-chlorobromanuidylmethane
CID 148246383
Bromo-bromochloranuidyl-dichloromethane
CID 149162600
CID 14316656
CID 14316656
CID 101022376
CID 101022376

Frequently Asked Questions

What is the IUPAC name of dibromo(dichloro)methane?
The IUPAC name of dibromo(dichloro)methane (CID 11659) is dibromo(dichloro)methane.
What is the SMILES notation for dibromo(dichloro)methane?
The canonical SMILES for dibromo(dichloro)methane is ClC(Cl)(Br)Br.
What is the InChIKey of dibromo(dichloro)methane?
The InChIKey is IHUREIPXVFKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/CBr2Cl2/c2-1(3,4)5.
What are the key properties of dibromo(dichloro)methane?
dibromo(dichloro)methane has a molecular weight of 242.72 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo(dichloro)methane is sourced from PubChem (CID 11659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).