bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene

C5H6BrF3OZn — CID 134898169

IUPACbromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene
SMILESCCO/C=[C-]/C(F)(F)F.[Zn+]Br
InChIInChI=1S/C5H6F3O.BrH.Zn/c1-2-9-4-3-5(6,7)8;;/h4H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeySFJFIMFPOGYKHJ-UHFFFAOYSA-M
MW284.39 g/mol
LogP2.75
Rot. Bonds2

About bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene

bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene (PubChem CID 134898169) has the molecular formula C5H6BrF3OZn and a molecular weight of 284.39 g/mol. Its IUPAC name is bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Namebromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene
PubChem CID134898169
Molecular FormulaC5H6BrF3OZn
Molecular Weight284.39 g/mol
Exact Mass281.88
IUPAC Namebromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene
SMILESCCO/C=[C-]/C(F)(F)F.[Zn+]Br
InChIInChI=1S/C5H6F3O.BrH.Zn/c1-2-9-4-3-5(6,7)8;;/h4H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeySFJFIMFPOGYKHJ-UHFFFAOYSA-M
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene?
The IUPAC name of bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene (CID 134898169) is bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene is CCO/C=[C-]/C(F)(F)F.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene?
The InChIKey is SFJFIMFPOGYKHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6F3O.BrH.Zn/c1-2-9-4-3-5(6,7)8;;/h4H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene?
bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene has a molecular weight of 284.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 134898169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).