ethyl 2-[4-(trifluoromethyl)phenoxy]acetate

C11H11F3O3 — CID 18317849

IUPACethyl 2-[4-(trifluoromethyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O3/c1-2-16-10(15)7-17-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyJOWZWSDDZGUKFO-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-[4-(trifluoromethyl)phenoxy]acetate

ethyl 2-[4-(trifluoromethyl)phenoxy]acetate (PubChem CID 18317849) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-[4-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(trifluoromethyl)phenoxy]acetate
PubChem CID18317849
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Nameethyl 2-[4-(trifluoromethyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O3/c1-2-16-10(15)7-17-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyJOWZWSDDZGUKFO-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(trifluoromethyl)phenoxy]acetate (CID 18317849) is ethyl 2-[4-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(trifluoromethyl)phenoxy]acetate is CCOC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
The InChIKey is JOWZWSDDZGUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-2-16-10(15)7-17-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
ethyl 2-[4-(trifluoromethyl)phenoxy]acetate has a molecular weight of 248.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 18317849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).