Ethyl 2,2-Difluoro-2-[4-(trifluoromethyl)phenyl]acetate - CAS 73789-96-5
Catalog: |
BB034919 |
Product Name: |
Ethyl 2,2-Difluoro-2-[4-(trifluoromethyl)phenyl]acetate |
CAS: |
73789-96-5 |
Synonyms: |
2,2-difluoro-2-[4-(trifluoromethyl)phenyl]acetic acid ethyl ester; ethyl 2,2-difluoro-2-[4-(trifluoromethyl)phenyl]acetate |
IUPAC Name: | ethyl 2,2-difluoro-2-[4-(trifluoromethyl)phenyl]acetate |
Description: | Ethyl 2,2-Difluoro-2-[4-(trifluoromethyl)phenyl]acetate (CAS# 73789-96-5 ) is a useful research chemical. |
Molecular Weight: | 268.18 |
Molecular Formula: | C11H9F5O2 |
Canonical SMILES: | CCOC(=O)C(C1=CC=C(C=C1)C(F)(F)F)(F)F |
InChI: | InChI=1S/C11H9F5O2/c1-2-18-9(17)10(12,13)7-3-5-8(6-4-7)11(14,15)16/h3-6H,2H2,1H3 |
InChI Key: | CRTRDMJXYPHFPE-UHFFFAOYSA-N |
LogP: | 3.36030 |
Publication Number | Title | Priority Date |
WO-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
US-2019322676-A1 | Ceramide galactosyltransferase inhibitors for the treatment of disease | 20161220 |
WO-2018118838-A1 | Ceramide galactosyltransferase inhibitors for the treatment of disease | 20161220 |
EP-3197440-A1 | Treatment of anxiety disorders and autism spectrum disorders | 20140922 |
US-2018271869-A1 | Treatment of anxiety disorders and autism spectrum disorders | 20140922 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.05227034 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.05227034 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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