ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate

C13H16F2O4 — CID 66452413

IUPACethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
SMILESCCCOc1ccc(OC(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C13H16F2O4/c1-3-9-18-10-5-7-11(8-6-10)19-13(14,15)12(16)17-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyDTZGFHMBHIOIGK-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.01
Rot. Bonds7

About ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate

ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate (PubChem CID 66452413) has the molecular formula C13H16F2O4 and a molecular weight of 274.26 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
PubChem CID66452413
Molecular FormulaC13H16F2O4
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Nameethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
SMILESCCCOc1ccc(OC(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C13H16F2O4/c1-3-9-18-10-5-7-11(8-6-10)19-13(14,15)12(16)17-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyDTZGFHMBHIOIGK-UHFFFAOYSA-N
XLogP3.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
ethyl 2,2-difluoro-2-[4-(hydroxymethyl)phenoxy]acetate
CID 66453718
ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
CID 113322624
ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
CID 79303862
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
ethyl (3S)-3-amino-3-(4-ethoxyphenyl)-2,2-difluoropropanoate
CID 171246535
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
CID 66452196
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293
ethyl (3S)-3-amino-2,2-difluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 171251286

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate (CID 66452413) is ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate is CCCOc1ccc(OC(F)(F)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate?
The InChIKey is DTZGFHMBHIOIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O4/c1-3-9-18-10-5-7-11(8-6-10)19-13(14,15)12(16)17-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate?
ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate has a molecular weight of 274.26 g/mol, XLogP of 3.01, 7 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-(4-propoxyphenoxy)acetate is sourced from PubChem (CID 66452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).