bromoethane;dihydrobromide

C2H7Br3 — CID 18353834

IUPACbromoethane;dihydrobromide
SMILESBr.Br.CCBr
InChIInChI=1S/C2H5Br.2BrH/c1-2-3;;/h2H2,1H3;2*1H
InChIKeyJPASFDLPSXFWEH-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.56
Rot. Bonds

About bromoethane;dihydrobromide

bromoethane;dihydrobromide (PubChem CID 18353834) has the molecular formula C2H7Br3 and a molecular weight of 270.79 g/mol. Its IUPAC name is bromoethane;dihydrobromide.

Molecular Properties

Compound Namebromoethane;dihydrobromide
PubChem CID18353834
Molecular FormulaC2H7Br3
Molecular Weight270.79 g/mol
Exact Mass267.81
IUPAC Namebromoethane;dihydrobromide
SMILESBr.Br.CCBr
InChIInChI=1S/C2H5Br.2BrH/c1-2-3;;/h2H2,1H3;2*1H
InChIKeyJPASFDLPSXFWEH-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromoethane;dihydrobromide?
The IUPAC name of bromoethane;dihydrobromide (CID 18353834) is bromoethane;dihydrobromide.
What is the SMILES notation for bromoethane;dihydrobromide?
The canonical SMILES for bromoethane;dihydrobromide is Br.Br.CCBr.
What is the InChIKey of bromoethane;dihydrobromide?
The InChIKey is JPASFDLPSXFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Br.2BrH/c1-2-3;;/h2H2,1H3;2*1H.
What are the key properties of bromoethane;dihydrobromide?
bromoethane;dihydrobromide has a molecular weight of 270.79 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;dihydrobromide is sourced from PubChem (CID 18353834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).