ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate

C13H15F3O4 — CID 170998065

IUPACethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCC)c(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O4/c1-3-18-10-6-5-9(8-12(17)19-4-2)7-11(10)20-13(14,15)16/h5-7H,3-4,8H2,1-2H3
InChIKeyPYWZMQPULVBESQ-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.09
Rot. Bonds6

About ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate

ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate (PubChem CID 170998065) has the molecular formula C13H15F3O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
PubChem CID170998065
Molecular FormulaC13H15F3O4
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCC)c(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O4/c1-3-18-10-6-5-9(8-12(17)19-4-2)7-11(10)20-13(14,15)16/h5-7H,3-4,8H2,1-2H3
InChIKeyPYWZMQPULVBESQ-UHFFFAOYSA-N
XLogP3.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638973
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
CID 134633504
ethyl 2-[3-amino-4-bromo-5-(trifluoromethoxy)phenyl]acetate
CID 134632780
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 2-[3-cyano-4-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 134653977
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate (CID 170998065) is ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate is CCOC(=O)Cc1ccc(OCC)c(OC(F)(F)F)c1.
What is the InChIKey of ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate?
The InChIKey is PYWZMQPULVBESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O4/c1-3-18-10-6-5-9(8-12(17)19-4-2)7-11(10)20-13(14,15)16/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate?
ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate has a molecular weight of 292.25 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170998065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).