Cas no 82129-64-4 (2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]-)
![2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/82500/82129-64-4x500.png)
82129-64-4 structure
Product Name:2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]-
CAS No:82129-64-4
MF:C13H13F3O2
MW:258.236334562302
CID:697831
PubChem ID:13201804
Update Time:2025-04-19
2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]-
- 1-[3-(trifluoromethyl)phenyl]hexane-2,4-dione
- 1-(3-trifluoromethylphenyl)-2,4-hexanedione
- SCHEMBL11268575
- DTXSID70527032
- 82129-64-4
-
- Inchi： 1S/C13H13F3O2/c1-2-11(17)8-12(18)7-9-4-3-5-10(6-9)13(14,15)16/h3-6H,2,7-8H2,1H3
- InChI Key： OOYWHQWMWCWWEY-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)CC(CC(CC)=O)=O)(F)F
Computed Properties
- Exact Mass: 258.08676414g/mol
- Monoisotopic Mass: 258.08676414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 310
- 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: 2.7
- Topological Polar Surface Area: 34.1?2
2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
82129-64-4 (2,4-Hexanedione, 1-[3-(trifluoromethyl)phenyl]-) Related Products
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