ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate

C7H12F2O4 — CID 66455007

IUPACethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCCOC
InChIInChI=1S/C7H12F2O4/c1-3-12-6(10)7(8,9)13-5-4-11-2/h3-5H2,1-2H3
InChIKeyYEGMQYWAFHMDRF-UHFFFAOYSA-N
MW198.16 g/mol
LogP0.81
Rot. Bonds6

About ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate

ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate (PubChem CID 66455007) has the molecular formula C7H12F2O4 and a molecular weight of 198.16 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
PubChem CID66455007
Molecular FormulaC7H12F2O4
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Nameethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCCOC
InChIInChI=1S/C7H12F2O4/c1-3-12-6(10)7(8,9)13-5-4-11-2/h3-5H2,1-2H3
InChIKeyYEGMQYWAFHMDRF-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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Related Compounds

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
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
3-ethoxy-2,2-difluoro-3-oxopropanoate
CID 154057917
1-O-ethyl 4-O-methyl 2,2,3,3-tetrafluorobutanedioate
CID 15889497
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 (2S)-2-amino-2-(trifluoromethyl)butanoate
CID 10821843

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate (CID 66455007) is ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate is CCOC(=O)C(F)(F)OCCOC.
What is the InChIKey of ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate?
The InChIKey is YEGMQYWAFHMDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O4/c1-3-12-6(10)7(8,9)13-5-4-11-2/h3-5H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate?
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate 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 ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate is sourced from PubChem (CID 66455007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).