ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate

C11H9F3O4 — CID 107685215

IUPACethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(C=O)cc1F
InChIInChI=1S/C11H9F3O4/c1-2-17-10(16)11(13,14)18-9-4-3-7(6-15)5-8(9)12/h3-6H,2H2,1H3
InChIKeyRGKHQVQQUGQOQC-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.17
Rot. Bonds5

About ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate

ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate (PubChem CID 107685215) has the molecular formula C11H9F3O4 and a molecular weight of 262.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate
PubChem CID107685215
Molecular FormulaC11H9F3O4
Molecular Weight262.18 g/mol
Exact Mass262.05
IUPAC Nameethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(C=O)cc1F
InChIInChI=1S/C11H9F3O4/c1-2-17-10(16)11(13,14)18-9-4-3-7(6-15)5-8(9)12/h3-6H,2H2,1H3
InChIKeyRGKHQVQQUGQOQC-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate
CID 114671586
ethyl 2-(4-formyl-2-methylphenoxy)-2-methylpropanoate
CID 18448413
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
ethyl 2,2-difluoro-2-(3-formylphenyl)acetate
CID 118646999
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
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-bromo-2-cyanophenoxy)-2,2-difluoroacetate
CID 83146122
ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate
CID 66452638
ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
CID 66453060
ethyl 2,2-difluoro-2-(2-propan-2-ylphenoxy)acetate
CID 66452195

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate (CID 107685215) is ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate is CCOC(=O)C(F)(F)Oc1ccc(C=O)cc1F.
What is the InChIKey of ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate?
The InChIKey is RGKHQVQQUGQOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O4/c1-2-17-10(16)11(13,14)18-9-4-3-7(6-15)5-8(9)12/h3-6H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate?
ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate has a molecular weight of 262.18 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate is sourced from PubChem (CID 107685215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).