Cas no 917984-59-9 (Hexanoic acid, 2-methyl-5-oxo-2-(2,2,2-trifluoroacetyl)-, ethyl ester)
917984-59-9 structure
Product Name:Hexanoic acid, 2-methyl-5-oxo-2-(2,2,2-trifluoroacetyl)-, ethyl ester
CAS No:917984-59-9
MF:C11H15F3O4
MW:268.229614496231
CID:780294
PubChem ID:71427916
Update Time:2025-04-19
Hexanoic acid, 2-methyl-5-oxo-2-(2,2,2-trifluoroacetyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-methyl-5-oxo-2-(2,2,2-trifluoroacetyl)-, ethyl ester
- ethyl 2-methyl-5-oxo-2-(2,2,2-trifluoroacetyl)hexanoate
- 917984-59-9
- Ethyl 2-methyl-5-oxo-2-(trifluoroacetyl)hexanoate
- DTXSID90846651
-
- Inchi： 1S/C11H15F3O4/c1-4-18-9(17)10(3,6-5-7(2)15)8(16)11(12,13)14/h4-6H2,1-3H3
- InChI Key： SFNGPNGZOMYHPE-UHFFFAOYSA-N
- SMILES： FC(C(C(C(=O)OCC)(C)CCC(C)=O)=O)(F)F
Computed Properties
- Exact Mass: 268.09224344g/mol
- Monoisotopic Mass: 268.09224344g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 349
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 60.4?2
Hexanoic acid, 2-methyl-5-oxo-2-(2,2,2-trifluoroacetyl)-, ethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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