ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate

C11H10F4O4 — CID 113497366

IUPACethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
SMILESCCOC(=O)C(F)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F4O4/c1-2-17-10(16)9(12)18-7-3-5-8(6-4-7)19-11(13,14)15/h3-6,9H,2H2,1H3
InChIKeyZCGZPNJGGZNODF-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.82
Rot. Bonds5

About ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate

ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate (PubChem CID 113497366) has the molecular formula C11H10F4O4 and a molecular weight of 282.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
PubChem CID113497366
Molecular FormulaC11H10F4O4
Molecular Weight282.19 g/mol
Exact Mass282.05
IUPAC Nameethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
SMILESCCOC(=O)C(F)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F4O4/c1-2-17-10(16)9(12)18-7-3-5-8(6-4-7)19-11(13,14)15/h3-6,9H,2H2,1H3
InChIKeyZCGZPNJGGZNODF-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-fluoro-2-(4-propan-2-ylphenoxy)acetate
CID 79356641
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
ethyl 2-fluoro-2-(4-phenoxyphenoxy)acetate
CID 79361865
ethyl (3R)-3-amino-2-fluoro-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171242242
ethyl 2-[4-(trifluoromethoxy)phenyl]sulfanylpropanoate
CID 138972233
ethyl (2R)-2-bromo-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 26985150
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl (3R)-3-amino-2-fluoro-3-[2-hydroxy-5-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243090
ethyl 2-(prop-2-ynylamino)-2-[4-(trifluoromethoxy)phenyl]acetate
CID 62365998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate?
The IUPAC name of ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate (CID 113497366) is ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate is CCOC(=O)C(F)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate?
The InChIKey is ZCGZPNJGGZNODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O4/c1-2-17-10(16)9(12)18-7-3-5-8(6-4-7)19-11(13,14)15/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate?
ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate has a molecular weight of 282.19 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate is sourced from PubChem (CID 113497366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).