Cas no 921212-92-2 (2-Butenoic acid, 4,4,4-trifluoro-, butyl ester)
921212-92-2 structure
Product Name:2-Butenoic acid, 4,4,4-trifluoro-, butyl ester
CAS No:921212-92-2
MF:C8H11F3O2
MW:196.166953325272
CID:745157
PubChem ID:71422342
Update Time:2025-04-19
2-Butenoic acid, 4,4,4-trifluoro-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 4,4,4-trifluoro-, butyl ester
- butyl 4,4,4-trifluorobut-2-enoate
- DTXSID20841371
- 921212-92-2
-
- Inchi： 1S/C8H11F3O2/c1-2-3-6-13-7(12)4-5-8(9,10)11/h4-5H,2-3,6H2,1H3
- InChI Key： MAFQXXXUUASKSH-UHFFFAOYSA-N
- SMILES： FC(C=CC(=O)OCCCC)(F)F
Computed Properties
- Exact Mass: 196.07111408g/mol
- Monoisotopic Mass: 196.07111408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.7
- Topological Polar Surface Area: 26.3?2
2-Butenoic acid, 4,4,4-trifluoro-, butyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
921212-92-2 (2-Butenoic acid, 4,4,4-trifluoro-, butyl ester) Related Products
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