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442125-30-6 molecular structure
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ethyl 2-[4-(trifluoromethyl)phenoxy]acetate

ChemBase ID: 810702
Molecular Formular: C11H11F3O3
Molecular Mass: 248.1984496
Monoisotopic Mass: 248.06602887
SMILES and InChIs

SMILES:
C(C(=O)OCC)Oc1ccc(cc1)C(F)(F)F
Canonical SMILES:
CCOC(=O)COc1ccc(cc1)C(F)(F)F
InChI:
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
InChIKey:
JOWZWSDDZGUKFO-UHFFFAOYSA-N

Cite this record

CBID:810702 http://www.chembase.cn/molecule-810702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
IUPAC Traditional name
ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
Synonyms
(4-TRIFLUOROMETHYLPHENOXY) ACETIC ACID ETHYL ESTER
CAS Number
442125-30-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29497 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29497 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) 2.6741083  LogD (pH = 7.4) 2.6741083 
Log P 2.6741083  Molar Refractivity 54.0972 cm3
Polarizability 20.406326 Å3 Polar Surface Area 35.53 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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