ethyl 2-(2,2-difluoroethoxy)acetate

C6H10F2O3 — CID 82005115

IUPACethyl 2-(2,2-difluoroethoxy)acetate
SMILESCCOC(=O)COCC(F)F
InChIInChI=1S/C6H10F2O3/c1-2-11-6(9)4-10-3-5(7)8/h5H,2-4H2,1H3
InChIKeyOBKURPZIFDIUSL-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.83
Rot. Bonds5

About ethyl 2-(2,2-difluoroethoxy)acetate

ethyl 2-(2,2-difluoroethoxy)acetate (PubChem CID 82005115) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoroethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoroethoxy)acetate
PubChem CID82005115
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Nameethyl 2-(2,2-difluoroethoxy)acetate
SMILESCCOC(=O)COCC(F)F
InChIInChI=1S/C6H10F2O3/c1-2-11-6(9)4-10-3-5(7)8/h5H,2-4H2,1H3
InChIKeyOBKURPZIFDIUSL-UHFFFAOYSA-N
XLogP0.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,3-dihydroxypropoxy)acetate
CID 57225948
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate
CID 82005500
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
ethyl 4-[2-(2,2-difluoroethoxy)ethylamino]-4-oxobutanoate
CID 103082388
diethyl 2-[3-(2,2-difluoroethoxy)propanoyl]propanedioate
CID 103150185
2-methylpropyl 2-ethoxyacetate
CID 45108349
ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
CID 86595203
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate
CID 154286431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoroethoxy)acetate?
The IUPAC name of ethyl 2-(2,2-difluoroethoxy)acetate (CID 82005115) is ethyl 2-(2,2-difluoroethoxy)acetate.
What is the SMILES notation for ethyl 2-(2,2-difluoroethoxy)acetate?
The canonical SMILES for ethyl 2-(2,2-difluoroethoxy)acetate is CCOC(=O)COCC(F)F.
What is the InChIKey of ethyl 2-(2,2-difluoroethoxy)acetate?
The InChIKey is OBKURPZIFDIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3/c1-2-11-6(9)4-10-3-5(7)8/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,2-difluoroethoxy)acetate?
ethyl 2-(2,2-difluoroethoxy)acetate has a molecular weight of 168.14 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoroethoxy)acetate is sourced from PubChem (CID 82005115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).