bromoethane;hydrobromide

C2H6Br2 — CID 21488390

IUPACbromoethane;hydrobromide
SMILESBr.CCBr
InChIInChI=1S/C2H5Br.BrH/c1-2-3;/h2H2,1H3;1H
InChIKeyRLQDALSZUFCRBX-UHFFFAOYSA-N
MW189.88 g/mol
LogP1.98
Rot. Bonds

About bromoethane;hydrobromide

bromoethane;hydrobromide (PubChem CID 21488390) has the molecular formula C2H6Br2 and a molecular weight of 189.88 g/mol. Its IUPAC name is bromoethane;hydrobromide.

Molecular Properties

Compound Namebromoethane;hydrobromide
PubChem CID21488390
Molecular FormulaC2H6Br2
Molecular Weight189.88 g/mol
Exact Mass187.88
IUPAC Namebromoethane;hydrobromide
SMILESBr.CCBr
InChIInChI=1S/C2H5Br.BrH/c1-2-3;/h2H2,1H3;1H
InChIKeyRLQDALSZUFCRBX-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.88
LogP ≤ 51.98
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;hydrobromide?
The IUPAC name of bromoethane;hydrobromide (CID 21488390) is bromoethane;hydrobromide.
What is the SMILES notation for bromoethane;hydrobromide?
The canonical SMILES for bromoethane;hydrobromide is Br.CCBr.
What is the InChIKey of bromoethane;hydrobromide?
The InChIKey is RLQDALSZUFCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Br.BrH/c1-2-3;/h2H2,1H3;1H.
What are the key properties of bromoethane;hydrobromide?
bromoethane;hydrobromide has a molecular weight of 189.88 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;hydrobromide is sourced from PubChem (CID 21488390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).