ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate

C7H12F2O4 — CID 88881294

IUPACethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
SMILESCCOCOC(F)(F)C(=O)OCC
InChIInChI=1S/C7H12F2O4/c1-3-11-5-13-7(8,9)6(10)12-4-2/h3-5H2,1-2H3
InChIKeyJBKZSJMFHZXLDL-UHFFFAOYSA-N
MW198.16 g/mol
LogP1.15
Rot. Bonds6

About ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate

ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate (PubChem CID 88881294) has the molecular formula C7H12F2O4 and a molecular weight of 198.16 g/mol. Its IUPAC name is ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
PubChem CID88881294
Molecular FormulaC7H12F2O4
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Nameethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
SMILESCCOCOC(F)(F)C(=O)OCC
InChIInChI=1S/C7H12F2O4/c1-3-11-5-13-7(8,9)6(10)12-4-2/h3-5H2,1-2H3
InChIKeyJBKZSJMFHZXLDL-UHFFFAOYSA-N
XLogP1.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate
CID 66452206
ethyl 2,2-difluoro-2-heptoxyacetate
CID 66452205
ethyl 2,2-difluoro-2-[2-(4-hydroxybutoxy)ethoxy]acetate
CID 138693454
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-dimethylsilyl-2-fluoropropanoate
CID 154177182
ethyl (2S)-2-amino-2-(trifluoromethyl)butanoate
CID 10821843
ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
CID 13141610
ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
CID 100924702

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate (CID 88881294) is ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate is CCOCOC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate?
The InChIKey is JBKZSJMFHZXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O4/c1-3-11-5-13-7(8,9)6(10)12-4-2/h3-5H2,1-2H3.
What are the key properties of ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate?
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate has a molecular weight of 198.16 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate is sourced from PubChem (CID 88881294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).