1,1,1,2-tetrabromoethane;hydrobromide

C2H3Br5 — CID 21297730

IUPAC1,1,1,2-tetrabromoethane;hydrobromide
SMILESBr.BrCC(Br)(Br)Br
InChIInChI=1S/C2H2Br4.BrH/c3-1-2(4,5)6;/h1H2;1H
InChIKeyMWYDUCLWRJMRLP-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.80
Rot. Bonds

About 1,1,1,2-tetrabromoethane;hydrobromide

1,1,1,2-tetrabromoethane;hydrobromide (PubChem CID 21297730) has the molecular formula C2H3Br5 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1,1,1,2-tetrabromoethane;hydrobromide.

Molecular Properties

Compound Name1,1,1,2-tetrabromoethane;hydrobromide
PubChem CID21297730
Molecular FormulaC2H3Br5
Molecular Weight426.57 g/mol
Exact Mass421.62
IUPAC Name1,1,1,2-tetrabromoethane;hydrobromide
SMILESBr.BrCC(Br)(Br)Br
InChIInChI=1S/C2H2Br4.BrH/c3-1-2(4,5)6;/h1H2;1H
InChIKeyMWYDUCLWRJMRLP-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.80
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

1,1,2,2-Tetrabromoethane
CID 6588
1,1,1,2-Tetrabromoethane
CID 61179
Pentabromoethane
CID 60967
1,1,2-Tribromoethane
CID 66222
1,2-Dibromoethane;rutherfordium
CID 58657894
Nickel;1,1,1,2-tetrabromoethane
CID 88654037
1,2-Dibromoethane;dibromomethane
CID 159070520
Bromoform;1,2-dibromoethane
CID 159126187
1,1,1,2,2-Pentabromoethane;tetrabromomethane
CID 159778348
1,1,1,2-Tetrabromoethane;hydrochloride
CID 161666009
1,2-Dibromoethane;dihydrobromide
CID 172693529
Potassium;hydride;1,1,1,2-tetrabromoethane
CID 173257550

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrabromoethane;hydrobromide?
The IUPAC name of 1,1,1,2-tetrabromoethane;hydrobromide (CID 21297730) is 1,1,1,2-tetrabromoethane;hydrobromide.
What is the SMILES notation for 1,1,1,2-tetrabromoethane;hydrobromide?
The canonical SMILES for 1,1,1,2-tetrabromoethane;hydrobromide is Br.BrCC(Br)(Br)Br.
What is the InChIKey of 1,1,1,2-tetrabromoethane;hydrobromide?
The InChIKey is MWYDUCLWRJMRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br4.BrH/c3-1-2(4,5)6;/h1H2;1H.
What are the key properties of 1,1,1,2-tetrabromoethane;hydrobromide?
1,1,1,2-tetrabromoethane;hydrobromide has a molecular weight of 426.57 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrabromoethane;hydrobromide is sourced from PubChem (CID 21297730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).