ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate

C10H8BrF3O3 — CID 114671586

IUPACethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1cc(Br)ccc1F
InChIInChI=1S/C10H8BrF3O3/c1-2-16-9(15)10(13,14)17-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyHMWDOWUOKAKBIR-UHFFFAOYSA-N
MW313.07 g/mol
LogP3.12
Rot. Bonds4

About ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate

ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate (PubChem CID 114671586) has the molecular formula C10H8BrF3O3 and a molecular weight of 313.07 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate
PubChem CID114671586
Molecular FormulaC10H8BrF3O3
Molecular Weight313.07 g/mol
Exact Mass311.96
IUPAC Nameethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1cc(Br)ccc1F
InChIInChI=1S/C10H8BrF3O3/c1-2-16-9(15)10(13,14)17-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyHMWDOWUOKAKBIR-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromo-2-cyanophenoxy)-2,2-difluoroacetate
CID 83146122
ethyl 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenoxy]-2,2-difluoroacetate
CID 142287091
ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate
CID 107685215
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
ethyl 2-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-difluoroacetate
CID 103483106
ethyl 3-(5-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 82973567
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
(5-bromo-2-fluorophenyl) 2,2-difluoro-3-hydroxypropanoate
CID 151452125
ethyl 2-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 117047713
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
ethyl 3-(5-bromo-2-fluorophenyl)-2,2-difluoro-3-(trioxidanyl)propanoate
CID 90098604
ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
CID 83197556

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate (CID 114671586) is ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate is CCOC(=O)C(F)(F)Oc1cc(Br)ccc1F.
What is the InChIKey of ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate?
The InChIKey is HMWDOWUOKAKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O3/c1-2-16-9(15)10(13,14)17-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate?
ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate has a molecular weight of 313.07 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 114671586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).