Cas no 721-96-0 (1,1,1-Trifluoro-5-phenyl-2,4-pentanedione)
721-96-0 structure
Product Name:1,1,1-Trifluoro-5-phenyl-2,4-pentanedione
CAS No:721-96-0
MF:C11H9F3O2
MW:230.183173894882
CID:2667880
Update Time:2023-08-06
1,1,1-Trifluoro-5-phenyl-2,4-pentanedione Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1-Trifluoro-5-phenyl-2,4-pentanedione
- 1-Phenyl-5,5,5-trifluoro-2,4-pentanedione
- 2,4-Pentanedione, 1,1,1-trifluoro-5-phenyl-
- OVRDABGVYJAEBI-UHFFFAOYSA-N
- 1,1,1-Trifluoro-5-phenyl-2,4-pentanedione #
-
- Inchi： 1S/C11H9F3O2/c12-11(13,14)10(16)7-9(15)6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key： OVRDABGVYJAEBI-UHFFFAOYSA-N
- SMILES： FC(C(CC(CC1C=CC=CC=1)=O)=O)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 265
- XLogP3: 2.5
- Topological Polar Surface Area: 34.1
1,1,1-Trifluoro-5-phenyl-2,4-pentanedione Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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