tetrachloromethane;trihydrobromide

CH3Br3Cl4 — CID 172821605

IUPACtetrachloromethane;trihydrobromide
SMILESBr.Br.Br.ClC(Cl)(Cl)Cl
InChIInChI=1S/CCl4.3BrH/c2-1(3,4)5;;;/h;3*1H
InChIKeyUHNJYWAWMJJMQF-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.29
Rot. Bonds

About tetrachloromethane;trihydrobromide

tetrachloromethane;trihydrobromide (PubChem CID 172821605) has the molecular formula CH3Br3Cl4 and a molecular weight of 396.56 g/mol. Its IUPAC name is tetrachloromethane;trihydrobromide.

Molecular Properties

Compound Nametetrachloromethane;trihydrobromide
PubChem CID172821605
Molecular FormulaCH3Br3Cl4
Molecular Weight396.56 g/mol
Exact Mass391.65
IUPAC Nametetrachloromethane;trihydrobromide
SMILESBr.Br.Br.ClC(Cl)(Cl)Cl
InChIInChI=1S/CCl4.3BrH/c2-1(3,4)5;;;/h;3*1H
InChIKeyUHNJYWAWMJJMQF-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.29
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

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CID 172761965
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CID 139954008
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acetylene;tetrachloromethane
CID 19386607
barium(2+);tetrachloromethane;dichloride
CID 141230689
potassium;tetrachloromethane;hydroxide
CID 159473553
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CID 87168985
calcium;hydride;tetrachloromethane;hydrochloride
CID 173433489
dichloropalladium;tetrachloromethane
CID 175018701
N-methylmethanamine;tetrachloromethane
CID 87872329
butane;tetrachloromethane
CID 175704167
1,1,2,2-tetrabromoethene;tetrachloromethane
CID 174595254

Frequently Asked Questions

What is the IUPAC name of tetrachloromethane;trihydrobromide?
The IUPAC name of tetrachloromethane;trihydrobromide (CID 172821605) is tetrachloromethane;trihydrobromide.
What is the SMILES notation for tetrachloromethane;trihydrobromide?
The canonical SMILES for tetrachloromethane;trihydrobromide is Br.Br.Br.ClC(Cl)(Cl)Cl.
What is the InChIKey of tetrachloromethane;trihydrobromide?
The InChIKey is UHNJYWAWMJJMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl4.3BrH/c2-1(3,4)5;;;/h;3*1H.
What are the key properties of tetrachloromethane;trihydrobromide?
tetrachloromethane;trihydrobromide has a molecular weight of 396.56 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrachloromethane;trihydrobromide is sourced from PubChem (CID 172821605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).