ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate

C10H8ClF3O3 — CID 82717095

IUPACethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClF3O3/c1-2-16-9(15)10(13,14)17-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChIKeyVNPMCGIWGBYUBV-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate

ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate (PubChem CID 82717095) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
PubChem CID82717095
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Nameethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClF3O3/c1-2-16-9(15)10(13,14)17-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChIKeyVNPMCGIWGBYUBV-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-2-[4-(hydroxymethyl)phenoxy]acetate
CID 66453718
ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
CID 66452196
ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
CID 66452413
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate
CID 66452638
2,2-difluoro-2-[4-(3,4,5-trifluorophenyl)phenoxy]acetaldehyde;ethyl 2,2-difluoro-2-[4-(3,4,5-trifluorophenyl)phenoxy]acetate
CID 157338042
ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
CID 113322624
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate
CID 114671586
ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate
CID 103201519
ethyl (E)-4-(4-chloro-3-fluorophenoxy)but-2-enoate
CID 82706563
ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
CID 66453060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate (CID 82717095) is ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate is CCOC(=O)C(F)(F)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate?
The InChIKey is VNPMCGIWGBYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-2-16-9(15)10(13,14)17-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate?
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate has a molecular weight of 268.62 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 82717095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).