ethyl 2-(trifluoromethoxy)acetate

C5H7F3O3 — CID 11446589

IUPACethyl 2-(trifluoromethoxy)acetate
SMILESCCOC(=O)COC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-10-4(9)3-11-5(6,7)8/h2-3H2,1H3
InChIKeyUVYNDOUWYIODCV-UHFFFAOYSA-N
MW172.10 g/mol
LogP1.09
Rot. Bonds3

About ethyl 2-(trifluoromethoxy)acetate

ethyl 2-(trifluoromethoxy)acetate (PubChem CID 11446589) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is ethyl 2-(trifluoromethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethoxy)acetate
PubChem CID11446589
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Nameethyl 2-(trifluoromethoxy)acetate
SMILESCCOC(=O)COC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-10-4(9)3-11-5(6,7)8/h2-3H2,1H3
InChIKeyUVYNDOUWYIODCV-UHFFFAOYSA-N
XLogP1.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethoxy)acetate?
The IUPAC name of ethyl 2-(trifluoromethoxy)acetate (CID 11446589) is ethyl 2-(trifluoromethoxy)acetate.
What is the SMILES notation for ethyl 2-(trifluoromethoxy)acetate?
The canonical SMILES for ethyl 2-(trifluoromethoxy)acetate is CCOC(=O)COC(F)(F)F.
What is the InChIKey of ethyl 2-(trifluoromethoxy)acetate?
The InChIKey is UVYNDOUWYIODCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-2-10-4(9)3-11-5(6,7)8/h2-3H2,1H3.
What are the key properties of ethyl 2-(trifluoromethoxy)acetate?
ethyl 2-(trifluoromethoxy)acetate has a molecular weight of 172.10 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethoxy)acetate is sourced from PubChem (CID 11446589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).