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

C15H19F3O5 — CID 166194032

IUPAC2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
SMILESCCOCCOCCOC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3O5/c1-2-20-7-8-21-9-10-22-14(19)11-23-13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3
InChIKeyYPPMZSVGHULDBB-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.68
Rot. Bonds10

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

2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate (PubChem CID 166194032) has the molecular formula C15H19F3O5 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
PubChem CID166194032
Molecular FormulaC15H19F3O5
Molecular Weight336.31 g/mol
Exact Mass336.12
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
SMILESCCOCCOCCOC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3O5/c1-2-20-7-8-21-9-10-22-14(19)11-23-13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3
InChIKeyYPPMZSVGHULDBB-UHFFFAOYSA-N
XLogP2.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
ethyl 3-[4-[1,1-bis[4-(2-ethoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]propanoate
CID 25126559
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
ethyl 2-[4-[2-sulfanyl-2-[4-(trifluoromethyl)phenyl]ethanethioyl]phenoxy]acetate
CID 71737438
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate
CID 7698438
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
2-(2-ethoxyethoxy)ethyl 2-[(5,6-dibromo-2-pyridinyl)oxy]acetate
CID 177248911
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate (CID 166194032) is 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate is CCOCCOCCOC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
The InChIKey is YPPMZSVGHULDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O5/c1-2-20-7-8-21-9-10-22-14(19)11-23-13-5-3-12(4-6-13)15(16,17)18/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate?
2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate has a molecular weight of 336.31 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 166194032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).