Cas no 919997-77-6 (1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro-)
919997-77-6 structure
Product Name:1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro-
CAS No:919997-77-6
MF:C12H11F3O2
MW:244.209754228592
CID:760131
PubChem ID:71424508
Update Time:2025-04-19
1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro-
- 1-(2-ethylphenyl)-4,4,4-trifluorobutane-1,3-dione
- 919997-77-6
- DTXSID30843301
-
- Inchi： 1S/C12H11F3O2/c1-2-8-5-3-4-6-9(8)10(16)7-11(17)12(13,14)15/h3-6H,2,7H2,1H3
- InChI Key： SDUNCWCFXLWLCP-UHFFFAOYSA-N
- SMILES： FC(C(CC(C1C=CC=CC=1CC)=O)=O)(F)F
Computed Properties
- Exact Mass: 244.07111408g/mol
- Monoisotopic Mass: 244.07111408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 297
- 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: 3.4
- Topological Polar Surface Area: 34.1?2
1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro- Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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
919997-77-6 (1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro-) Related Products
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