Home > Compound List > Compound details
710328-15-7 molecular structure
click picture or here to close

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

ChemBase ID: 810703
Molecular Formular: C11H11F3O4
Molecular Mass: 264.1978496
Monoisotopic Mass: 264.06094349
SMILES and InChIs

SMILES:
C(C(=O)OCC)Oc1ccc(cc1)OC(F)(F)F
Canonical SMILES:
CCOC(=O)COc1ccc(cc1)OC(F)(F)F
InChI:
InChI=1S/C11H11F3O4/c1-2-16-10(15)7-17-8-3-5-9(6-4-8)18-11(12,13)14/h3-6H,2,7H2,1H3
InChIKey:
SARUWXGWYFAWNQ-UHFFFAOYSA-N

Cite this record

CBID:810703 http://www.chembase.cn/molecule-810703.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-[4-(trifluoromethoxy)phenoxy]acetate
IUPAC Traditional name
ethyl 2-[4-(trifluoromethoxy)phenoxy]acetate
Synonyms
(4-TRIFLUOROMETHOXYPHENOXY) ACETIC ACID ETHYL ESTER
CAS Number
710328-15-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29498 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29498 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2273715  LogD (pH = 7.4) 3.2273715 
Log P 3.2273715  Molar Refractivity 51.1938 cm3
Polarizability 21.196108 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle