methyl 2-ethoxy-2,2-difluoroacetate

C5H8F2O3 — CID 18995471

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

About methyl 2-ethoxy-2,2-difluoroacetate

methyl 2-ethoxy-2,2-difluoroacetate (PubChem CID 18995471) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is methyl 2-ethoxy-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-ethoxy-2,2-difluoroacetate
PubChem CID18995471
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Namemethyl 2-ethoxy-2,2-difluoroacetate
SMILESCCOC(F)(F)C(=O)OC
InChIInChI=1S/C5H8F2O3/c1-3-10-5(6,7)4(8)9-2/h3H2,1-2H3
InChIKeyIQOCAVAGMPJZBS-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

Analyze methyl 2-ethoxy-2,2-difluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl ethoxyacetate
CID 69955
Ethyl 2-methoxyacetate
CID 77544
Methyl 2-ethoxyacetate
CID 325385
2-Methoxyethyl 2,2,2-trifluoroacetate
CID 71363284
Bis(2,2,2-trifluoroethyl) oxalate
CID 17759103
2-Ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-(2-Methoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 91692267
Ethyl 2-(trifluoromethoxy)acetate
CID 11446589
Ethyl 2-(2,2,2-trifluoroethoxy)acetate
CID 13148955
Potassium 2-(2,2,2-trifluoroethoxy)acetate
CID 23717599
Ethyl heptafluoroisopropoxydifluoroacetate
CID 13419347
Ethoxydifluoroacetic acid
CID 20528901

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-2,2-difluoroacetate?
The IUPAC name of methyl 2-ethoxy-2,2-difluoroacetate (CID 18995471) is methyl 2-ethoxy-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-ethoxy-2,2-difluoroacetate?
The canonical SMILES for methyl 2-ethoxy-2,2-difluoroacetate is CCOC(F)(F)C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-2,2-difluoroacetate?
The InChIKey is IQOCAVAGMPJZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-3-10-5(6,7)4(8)9-2/h3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-2,2-difluoroacetate?
methyl 2-ethoxy-2,2-difluoroacetate 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 methyl 2-ethoxy-2,2-difluoroacetate is sourced from PubChem (CID 18995471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).