methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate

C7H12F2O4 — CID 22079484

IUPACmethyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate
SMILESCCOCCOC(F)(F)C(=O)OC
InChIInChI=1S/C7H12F2O4/c1-3-12-4-5-13-7(8,9)6(10)11-2/h3-5H2,1-2H3
InChIKeyNZJVKKUMYGEJKA-UHFFFAOYSA-N
MW198.16 g/mol
LogP0.81
Rot. Bonds6

About methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate

methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate (PubChem CID 22079484) has the molecular formula C7H12F2O4 and a molecular weight of 198.16 g/mol. Its IUPAC name is methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate
PubChem CID22079484
Molecular FormulaC7H12F2O4
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate
SMILESCCOCCOC(F)(F)C(=O)OC
InChIInChI=1S/C7H12F2O4/c1-3-12-4-5-13-7(8,9)6(10)11-2/h3-5H2,1-2H3
InChIKeyNZJVKKUMYGEJKA-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate (CID 22079484) is methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate is CCOCCOC(F)(F)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate?
The InChIKey is NZJVKKUMYGEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O4/c1-3-12-4-5-13-7(8,9)6(10)11-2/h3-5H2,1-2H3.
What are the key properties of methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate?
methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate has a molecular weight of 198.16 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate is sourced from PubChem (CID 22079484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).