ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate

C12H14F2O3 — CID 106676848

IUPACethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
SMILESCCOC(=O)C(OCC(F)F)c1ccccc1
InChIInChI=1S/C12H14F2O3/c1-2-16-12(15)11(17-8-10(13)14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyOEQGUGKDKNZFJH-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.57
Rot. Bonds6

About ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate

ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate (PubChem CID 106676848) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
PubChem CID106676848
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
SMILESCCOC(=O)C(OCC(F)F)c1ccccc1
InChIInChI=1S/C12H14F2O3/c1-2-16-12(15)11(17-8-10(13)14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyOEQGUGKDKNZFJH-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
ethyl (2R,3R)-2-fluoro-3-phenylbutanoate
CID 102075316
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate
CID 102075314
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
benzyl 2-phenyl-2-propoxyacetate
CID 57015298

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate (CID 106676848) is ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate is CCOC(=O)C(OCC(F)F)c1ccccc1.
What is the InChIKey of ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate?
The InChIKey is OEQGUGKDKNZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-2-16-12(15)11(17-8-10(13)14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate?
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate has a molecular weight of 244.24 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate is sourced from PubChem (CID 106676848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).