bromoethane;ethene

C4H9Br — CID 161038399

IUPACbromoethane;ethene
SMILESC=C.CCBr
InChIInChI=1S/C2H5Br.C2H4/c1-2-3;1-2/h2H2,1H3;1-2H2
InChIKeyUAOFWNRJEAABJK-UHFFFAOYSA-N
MW137.02 g/mol
LogP2.20
Rot. Bonds

About bromoethane;ethene

bromoethane;ethene (PubChem CID 161038399) has the molecular formula C4H9Br and a molecular weight of 137.02 g/mol. Its IUPAC name is bromoethane;ethene.

Molecular Properties

Compound Namebromoethane;ethene
PubChem CID161038399
Molecular FormulaC4H9Br
Molecular Weight137.02 g/mol
Exact Mass135.99
IUPAC Namebromoethane;ethene
SMILESC=C.CCBr
InChIInChI=1S/C2H5Br.C2H4/c1-2-3;1-2/h2H2,1H3;1-2H2
InChIKeyUAOFWNRJEAABJK-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.02
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromoethane;ethene?
The IUPAC name of bromoethane;ethene (CID 161038399) is bromoethane;ethene.
What is the SMILES notation for bromoethane;ethene?
The canonical SMILES for bromoethane;ethene is C=C.CCBr.
What is the InChIKey of bromoethane;ethene?
The InChIKey is UAOFWNRJEAABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Br.C2H4/c1-2-3;1-2/h2H2,1H3;1-2H2.
What are the key properties of bromoethane;ethene?
bromoethane;ethene has a molecular weight of 137.02 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;ethene is sourced from PubChem (CID 161038399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).