2,2-dimethoxyethyl 2,2-difluoroacetate

C6H10F2O4 — CID 87157209

IUPAC2,2-dimethoxyethyl 2,2-difluoroacetate
SMILESCOC(COC(=O)C(F)F)OC
InChIInChI=1S/C6H10F2O4/c1-10-4(11-2)3-12-6(9)5(7)8/h4-5H,3H2,1-2H3
InChIKeyZAHQSPHURFWZHM-UHFFFAOYSA-N
MW184.14 g/mol
LogP0.41
Rot. Bonds5

About 2,2-dimethoxyethyl 2,2-difluoroacetate

2,2-dimethoxyethyl 2,2-difluoroacetate (PubChem CID 87157209) has the molecular formula C6H10F2O4 and a molecular weight of 184.14 g/mol. Its IUPAC name is 2,2-dimethoxyethyl 2,2-difluoroacetate.

Molecular Properties

Compound Name2,2-dimethoxyethyl 2,2-difluoroacetate
PubChem CID87157209
Molecular FormulaC6H10F2O4
Molecular Weight184.14 g/mol
Exact Mass184.05
IUPAC Name2,2-dimethoxyethyl 2,2-difluoroacetate
SMILESCOC(COC(=O)C(F)F)OC
InChIInChI=1S/C6H10F2O4/c1-10-4(11-2)3-12-6(9)5(7)8/h4-5H,3H2,1-2H3
InChIKeyZAHQSPHURFWZHM-UHFFFAOYSA-N
XLogP0.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethoxyethyl 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

2-(2-Methoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 91692267
2,2-Dimethoxyethyl acetate
CID 15753000
(1-Acetyloxy-2,2,2-trifluoroethyl) acetate
CID 14469419
(2,2-Dimethoxyacetyl) 2,2,2-trifluoroacetate
CID 11964333
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815
Methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
CID 19001141
Bis(trifluoroacetic acid)ethylidene ester
CID 54473077
1,3-Dioxolan-2-ylmethyl 2,2,2-trifluoroacetate
CID 69949024
2,2-Dimethoxyethyl 2,2,2-trifluoroacetate
CID 87157157
2,2,2-Trifluoroethyl 2,2-diethoxyacetate
CID 88085995
1-Acetyloxyethyl 2,2-difluoroacetate
CID 88171698
Ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl 2,2-difluoroacetate?
The IUPAC name of 2,2-dimethoxyethyl 2,2-difluoroacetate (CID 87157209) is 2,2-dimethoxyethyl 2,2-difluoroacetate.
What is the SMILES notation for 2,2-dimethoxyethyl 2,2-difluoroacetate?
The canonical SMILES for 2,2-dimethoxyethyl 2,2-difluoroacetate is COC(COC(=O)C(F)F)OC.
What is the InChIKey of 2,2-dimethoxyethyl 2,2-difluoroacetate?
The InChIKey is ZAHQSPHURFWZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O4/c1-10-4(11-2)3-12-6(9)5(7)8/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethoxyethyl 2,2-difluoroacetate?
2,2-dimethoxyethyl 2,2-difluoroacetate has a molecular weight of 184.14 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl 2,2-difluoroacetate is sourced from PubChem (CID 87157209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).