bromo(trichloro)methane

CBrCl3 — CID 6383

IUPACbromo(trichloro)methane
SMILESClC(Cl)(Cl)Br
InChIInChI=1S/CBrCl3/c2-1(3,4)5
InChIKeyXNNQFQFUQLJSQT-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.71
Rot. Bonds

About bromo(trichloro)methane

bromo(trichloro)methane (PubChem CID 6383) has the molecular formula CBrCl3 and a molecular weight of 198.27 g/mol. Its IUPAC name is bromo(trichloro)methane.

Molecular Properties

Compound Namebromo(trichloro)methane
PubChem CID6383
Molecular FormulaCBrCl3
Molecular Weight198.27 g/mol
Exact Mass195.82
IUPAC Namebromo(trichloro)methane
SMILESClC(Cl)(Cl)Br
InChIInChI=1S/CBrCl3/c2-1(3,4)5
InChIKeyXNNQFQFUQLJSQT-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.71
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

Dibromodichloromethane
CID 11659
Bromotrichloromethane-13C, 99 atom % D
CID 71309025
[Bromo(dichloro)methyl]mercury
CID 88218864
Bromo-bromochloranuidyl-dichloromethane
CID 149162600
CID 14316656
CID 14316656
[Bromo(dichloro)methyl]mercury(1+)
CID 21549188
CID 101022376
CID 101022376

Frequently Asked Questions

What is the IUPAC name of bromo(trichloro)methane?
The IUPAC name of bromo(trichloro)methane (CID 6383) is bromo(trichloro)methane.
What is the SMILES notation for bromo(trichloro)methane?
The canonical SMILES for bromo(trichloro)methane is ClC(Cl)(Cl)Br.
What is the InChIKey of bromo(trichloro)methane?
The InChIKey is XNNQFQFUQLJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrCl3/c2-1(3,4)5.
What are the key properties of bromo(trichloro)methane?
bromo(trichloro)methane has a molecular weight of 198.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trichloro)methane is sourced from PubChem (CID 6383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).