bromozinc(1+);ethyl 2,2-difluoroacetate

C4H5BrF2O2Zn — CID 11196450

IUPACbromozinc(1+);ethyl 2,2-difluoroacetate
SMILESCCOC(=O)[C-](F)F.[Zn+]Br
InChIInChI=1S/C4H5F2O2.BrH.Zn/c1-2-8-4(7)3(5)6;;/h2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGOPAVGJMOIAAJJ-UHFFFAOYSA-M
MW268.37 g/mol
LogP1.82
Rot. Bonds2

About bromozinc(1+);ethyl 2,2-difluoroacetate

bromozinc(1+);ethyl 2,2-difluoroacetate (PubChem CID 11196450) has the molecular formula C4H5BrF2O2Zn and a molecular weight of 268.37 g/mol. Its IUPAC name is bromozinc(1+);ethyl 2,2-difluoroacetate.

Molecular Properties

Compound Namebromozinc(1+);ethyl 2,2-difluoroacetate
PubChem CID11196450
Molecular FormulaC4H5BrF2O2Zn
Molecular Weight268.37 g/mol
Exact Mass265.87
IUPAC Namebromozinc(1+);ethyl 2,2-difluoroacetate
SMILESCCOC(=O)[C-](F)F.[Zn+]Br
InChIInChI=1S/C4H5F2O2.BrH.Zn/c1-2-8-4(7)3(5)6;;/h2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGOPAVGJMOIAAJJ-UHFFFAOYSA-M
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromozinc(1+);ethyl 2,2-difluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,2-difluoroacetate;tungsten(2+)
CID 21037782
sodium ethyl 2-methylpropanoate
CID 21400557
ethyl 2-bromoacetate;gold(1+)
CID 174891497
ethyl 2-bromoacetate;zinc
CID 130407816
lithium ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 177418915
bromozinc(1+);ethyl pentanoate
CID 146001578
CID 88807470
CID 88807470
sodium ethyl 2-fluoroacetate
CID 162455444
sodium diethyl 2-acetamidopropanedioate
CID 11010044
ethyl acetate;pentane-1,5-diol
CID 88701644
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);ethyl 2,2-difluoroacetate?
The IUPAC name of bromozinc(1+);ethyl 2,2-difluoroacetate (CID 11196450) is bromozinc(1+);ethyl 2,2-difluoroacetate.
What is the SMILES notation for bromozinc(1+);ethyl 2,2-difluoroacetate?
The canonical SMILES for bromozinc(1+);ethyl 2,2-difluoroacetate is CCOC(=O)[C-](F)F.[Zn+]Br.
What is the InChIKey of bromozinc(1+);ethyl 2,2-difluoroacetate?
The InChIKey is GOPAVGJMOIAAJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F2O2.BrH.Zn/c1-2-8-4(7)3(5)6;;/h2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);ethyl 2,2-difluoroacetate?
bromozinc(1+);ethyl 2,2-difluoroacetate has a molecular weight of 268.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);ethyl 2,2-difluoroacetate is sourced from PubChem (CID 11196450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).