ethyl 2-(2,2,2-trifluoroethoxy)acetate

C6H9F3O3 — CID 13148955

IUPACethyl 2-(2,2,2-trifluoroethoxy)acetate
SMILESCCOC(=O)COCC(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-12-5(10)3-11-4-6(7,8)9/h2-4H2,1H3
InChIKeyGRRZJRBDLWWIJU-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.13
Rot. Bonds4

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

ethyl 2-(2,2,2-trifluoroethoxy)acetate (PubChem CID 13148955) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is ethyl 2-(2,2,2-trifluoroethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,2-trifluoroethoxy)acetate
PubChem CID13148955
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Nameethyl 2-(2,2,2-trifluoroethoxy)acetate
SMILESCCOC(=O)COCC(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-12-5(10)3-11-4-6(7,8)9/h2-4H2,1H3
InChIKeyGRRZJRBDLWWIJU-UHFFFAOYSA-N
XLogP1.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl ethoxyacetate
CID 69955
Ethyl 2-methoxyacetate
CID 77544
Methyl 2-ethoxyacetate
CID 325385
2-Methoxyethyl 2,2,2-trifluoroacetate
CID 71363284
Bis(2,2,2-trifluoroethyl) oxalate
CID 17759103
2-Ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-(2-Methoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 91692267
Ethyl 2-(trifluoromethoxy)acetate
CID 11446589
Potassium 2-(2,2,2-trifluoroethoxy)acetate
CID 23717599
Ethyl heptafluoroisopropoxydifluoroacetate
CID 13419347
Ethoxydifluoroacetic acid
CID 20528901
2,2,2-Trifluoroethyl 2-methoxyacetate
CID 88537766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,2-trifluoroethoxy)acetate?
The IUPAC name of ethyl 2-(2,2,2-trifluoroethoxy)acetate (CID 13148955) is ethyl 2-(2,2,2-trifluoroethoxy)acetate.
What is the SMILES notation for ethyl 2-(2,2,2-trifluoroethoxy)acetate?
The canonical SMILES for ethyl 2-(2,2,2-trifluoroethoxy)acetate is CCOC(=O)COCC(F)(F)F.
What is the InChIKey of ethyl 2-(2,2,2-trifluoroethoxy)acetate?
The InChIKey is GRRZJRBDLWWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-2-12-5(10)3-11-4-6(7,8)9/h2-4H2,1H3.
What are the key properties of ethyl 2-(2,2,2-trifluoroethoxy)acetate?
ethyl 2-(2,2,2-trifluoroethoxy)acetate has a molecular weight of 186.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,2-trifluoroethoxy)acetate is sourced from PubChem (CID 13148955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).