methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate

C8H14F2O5 — CID 19001141

IUPACmethyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
SMILESCOC(=O)C(F)(F)OC(C)OC(C)OC
InChIInChI=1S/C8H14F2O5/c1-5(12-3)14-6(2)15-8(9,10)7(11)13-4/h5-6H,1-4H3
InChIKeyFHIRIGJDDBLHBB-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.12
Rot. Bonds6

About methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate

methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate (PubChem CID 19001141) has the molecular formula C8H14F2O5 and a molecular weight of 228.19 g/mol. Its IUPAC name is methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
PubChem CID19001141
Molecular FormulaC8H14F2O5
Molecular Weight228.19 g/mol
Exact Mass228.08
IUPAC Namemethyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
SMILESCOC(=O)C(F)(F)OC(C)OC(C)OC
InChIInChI=1S/C8H14F2O5/c1-5(12-3)14-6(2)15-8(9,10)7(11)13-4/h5-6H,1-4H3
InChIKeyFHIRIGJDDBLHBB-UHFFFAOYSA-N
XLogP1.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl diethoxyacetate
CID 80169
(2,2-Dimethoxyacetyl) 2,2,2-trifluoroacetate
CID 11964333
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815
2,2-Diethoxyacetate
CID 22600241
Methyl [1-(2-methoxy-2-oxoethoxy)ethoxy]acetate
CID 24975187
Methoxy ethoxy methyl acetate
CID 88213986
Methyl diethoxyacetate
CID 12559139
Methyl 2-(1-butoxyethoxy)-2,2-difluoroacetate
CID 18995450
Methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate
CID 21189111
[Ethoxy(fluoro)methyl] 2-ethoxyacetate
CID 57150553
Methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate
CID 58692130
[2-Oxo-2-[2-[2-[2-[(2,2,2-trifluoroacetyl)oxymethoxymethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,2-trifluoroacetate
CID 59116378

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate?
The IUPAC name of methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate (CID 19001141) is methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate.
What is the SMILES notation for methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate?
The canonical SMILES for methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate is COC(=O)C(F)(F)OC(C)OC(C)OC.
What is the InChIKey of methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate?
The InChIKey is FHIRIGJDDBLHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O5/c1-5(12-3)14-6(2)15-8(9,10)7(11)13-4/h5-6H,1-4H3.
What are the key properties of methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate?
methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate has a molecular weight of 228.19 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 19001141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).