Ethyl 5,5,5-Trifluoro-4-oxopentanoate - CAS 70961-05-6
Catalog: |
BB034276 |
Product Name: |
Ethyl 5,5,5-Trifluoro-4-oxopentanoate |
CAS: |
70961-05-6 |
Synonyms: |
5,5,5-trifluoro-4-oxopentanoic acid ethyl ester; ethyl 5,5,5-trifluoro-4-oxopentanoate |
IUPAC Name: | ethyl 5,5,5-trifluoro-4-oxopentanoate |
Description: | Ethyl 5,5,5-Trifluoro-4-oxopentanoate (CAS# 70961-05-6) is a useful research chemical. |
Molecular Weight: | 198.14 |
Molecular Formula: | C7H9F3O3 |
Canonical SMILES: | CCOC(=O)CCC(=O)C(F)(F)F |
InChI: | InChI=1S/C7H9F3O3/c1-2-13-6(12)4-3-5(11)7(8,9)10/h2-4H2,1H3 |
InChI Key: | SYCYZTBFHCQFQZ-UHFFFAOYSA-N |
LogP: | 1.46110 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020127504-A1 | Substituted oxopyridine derivatives | 20181221 |
TW-202039510-A | Substituted oxopyridine derivatives | 20181221 |
CN-113474348-A | Substituted oxopyridine derivatives | 20181221 |
EP-3898633-A1 | Substituted oxopyridine derivatives | 20181221 |
KR-20210106504-A | Substituted oxopyridine derivatives | 20181221 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.05037863 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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