ethyl 2,2-difluoro-2-methoxyacetate

C5H8F2O3 — CID 13419346

IUPACethyl 2,2-difluoro-2-methoxyacetate
SMILESCCOC(=O)C(F)(F)OC
InChIInChI=1S/C5H8F2O3/c1-3-10-4(8)5(6,7)9-2/h3H2,1-2H3
InChIKeyJOFMQMLYKQJIAZ-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.79
Rot. Bonds3

About ethyl 2,2-difluoro-2-methoxyacetate

ethyl 2,2-difluoro-2-methoxyacetate (PubChem CID 13419346) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-methoxyacetate
PubChem CID13419346
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Nameethyl 2,2-difluoro-2-methoxyacetate
SMILESCCOC(=O)C(F)(F)OC
InChIInChI=1S/C5H8F2O3/c1-3-10-4(8)5(6,7)9-2/h3H2,1-2H3
InChIKeyJOFMQMLYKQJIAZ-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 69955
CID 69955
CID 77544
CID 77544
CID 325385
CID 325385
CID 71363284
CID 71363284
CID 17759103
CID 17759103
CID 71672713
CID 71672713
CID 91692267
CID 91692267
CID 11446589
CID 11446589
CID 13148955
CID 13148955
CID 23717599
CID 23717599
CID 13419347
CID 13419347
CID 20528901
CID 20528901

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-methoxyacetate?
The IUPAC name of ethyl 2,2-difluoro-2-methoxyacetate (CID 13419346) is ethyl 2,2-difluoro-2-methoxyacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-methoxyacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-methoxyacetate is CCOC(=O)C(F)(F)OC.
What is the InChIKey of ethyl 2,2-difluoro-2-methoxyacetate?
The InChIKey is JOFMQMLYKQJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-3-10-4(8)5(6,7)9-2/h3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-methoxyacetate?
ethyl 2,2-difluoro-2-methoxyacetate has a molecular weight of 154.11 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-methoxyacetate is sourced from PubChem (CID 13419346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).