(E)-2-bromo-1-chloro-1-ethoxyethene

C4H6BrClO — CID 134873774

IUPAC(E)-2-bromo-1-chloro-1-ethoxyethene
SMILESCCO/C(Cl)=C\Br
InChIInChI=1S/C4H6BrClO/c1-2-7-4(6)3-5/h3H,2H2,1H3/b4-3-
InChIKeyBJJUZYRRTAZYNT-ARJAWSKDSA-N
MW185.45 g/mol
LogP2.46
Rot. Bonds2

About (E)-2-bromo-1-chloro-1-ethoxyethene

(E)-2-bromo-1-chloro-1-ethoxyethene (PubChem CID 134873774) has the molecular formula C4H6BrClO and a molecular weight of 185.45 g/mol. Its IUPAC name is (E)-2-bromo-1-chloro-1-ethoxyethene.

Molecular Properties

Compound Name(E)-2-bromo-1-chloro-1-ethoxyethene
PubChem CID134873774
Molecular FormulaC4H6BrClO
Molecular Weight185.45 g/mol
Exact Mass183.93
IUPAC Name(E)-2-bromo-1-chloro-1-ethoxyethene
SMILESCCO/C(Cl)=C\Br
InChIInChI=1S/C4H6BrClO/c1-2-7-4(6)3-5/h3H,2H2,1H3/b4-3-
InChIKeyBJJUZYRRTAZYNT-ARJAWSKDSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-1-chloro-1-ethoxyethene?
The IUPAC name of (E)-2-bromo-1-chloro-1-ethoxyethene (CID 134873774) is (E)-2-bromo-1-chloro-1-ethoxyethene.
What is the SMILES notation for (E)-2-bromo-1-chloro-1-ethoxyethene?
The canonical SMILES for (E)-2-bromo-1-chloro-1-ethoxyethene is CCO/C(Cl)=C\Br.
What is the InChIKey of (E)-2-bromo-1-chloro-1-ethoxyethene?
The InChIKey is BJJUZYRRTAZYNT-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H6BrClO/c1-2-7-4(6)3-5/h3H,2H2,1H3/b4-3-.
What are the key properties of (E)-2-bromo-1-chloro-1-ethoxyethene?
(E)-2-bromo-1-chloro-1-ethoxyethene has a molecular weight of 185.45 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-1-chloro-1-ethoxyethene is sourced from PubChem (CID 134873774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).