Cas no 88488-72-6 (1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]-)
![1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/88500/88488-72-6x500.png)
88488-72-6 structure
Product Name:1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]-
CAS No:88488-72-6
MF:C18H12F6O2
MW:374.277106285095
CID:630850
PubChem ID:13201827
Update Time:2025-04-19
1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]-
- 1,4-bis[3-(trifluoromethyl)phenyl]butane-1,3-dione
- 88488-72-6
- DTXSID00527045
-
- Inchi： 1S/C18H12F6O2/c19-17(20,21)13-5-1-3-11(7-13)8-15(25)10-16(26)12-4-2-6-14(9-12)18(22,23)24/h1-7,9H,8,10H2
- InChI Key： ZAKMLVJPGOYXOH-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)CC(CC(C1C=CC=C(C(F)(F)F)C=1)=O)=O)(F)F
Computed Properties
- Exact Mass: 374.07414859g/mol
- Monoisotopic Mass: 374.07414859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 511
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 34.1?2
1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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
88488-72-6 (1,3-Butanedione, 1,4-bis[3-(trifluoromethyl)phenyl]-) Related Products
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