Cas no 91523-46-5 (Diethyl 2-(trifluoromethyl)butanedioate)
91523-46-5 structure
Product Name:Diethyl 2-(trifluoromethyl)butanedioate
CAS No:91523-46-5
MF:C9H13F3O4
MW:242.192333936691
CID:2814072
Update Time:2023-08-07
Diethyl 2-(trifluoromethyl)butanedioate Chemical and Physical Properties
Names and Identifiers
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- diethyl 2-(trifluoromethyl)butanedioate
- Butanedioic acid, (trifluoromethyl)-, diethyl ester
- Diethyl 2-(trifluoromethyl)butanedioate
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- Inchi： 1S/C9H13F3O4/c1-3-15-7(13)5-6(9(10,11)12)8(14)16-4-2/h6H,3-5H2,1-2H3
- InChI Key： AEFTUCVENLYJFX-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OCC)CC(=O)OCC)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 250
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6
Diethyl 2-(trifluoromethyl)butanedioate Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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