bromo(dichloro)methane

CBrCl2- — CID 101022376

IUPACbromo(dichloro)methane
SMILESCl[C-](Cl)Br
InChIInChI=1S/CBrCl2/c2-1(3)4/q-1
InChIKeyRDTNWFWWNVYDLB-UHFFFAOYSA-N
MW162.82 g/mol
LogP2.31
Rot. Bonds

About bromo(dichloro)methane

bromo(dichloro)methane (PubChem CID 101022376) has the molecular formula CBrCl2- and a molecular weight of 162.82 g/mol. Its IUPAC name is bromo(dichloro)methane.

Molecular Properties

Compound Namebromo(dichloro)methane
PubChem CID101022376
Molecular FormulaCBrCl2-
Molecular Weight162.82 g/mol
Exact Mass160.86
IUPAC Namebromo(dichloro)methane
SMILESCl[C-](Cl)Br
InChIInChI=1S/CBrCl2/c2-1(3)4/q-1
InChIKeyRDTNWFWWNVYDLB-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.82
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo(dichloro)methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromo(dichloro)methane?
The IUPAC name of bromo(dichloro)methane (CID 101022376) is bromo(dichloro)methane.
What is the SMILES notation for bromo(dichloro)methane?
The canonical SMILES for bromo(dichloro)methane is Cl[C-](Cl)Br.
What is the InChIKey of bromo(dichloro)methane?
The InChIKey is RDTNWFWWNVYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrCl2/c2-1(3)4/q-1.
What are the key properties of bromo(dichloro)methane?
bromo(dichloro)methane has a molecular weight of 162.82 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(dichloro)methane is sourced from PubChem (CID 101022376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).