Cas no 185338-32-3 (3-[3,5-Bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-one)
![3-[3,5-Bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-one structure](https://ossimg.kuujia.com/scimg/185500/185338-32-3x500.png)
185338-32-3 structure
Product Name:3-[3,5-Bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-one
CAS No:185338-32-3
MF:C11H5F9O
MW:324.142434835434
CID:2784962
PubChem ID:71348893
Update Time:2025-04-21
3-[3,5-Bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3-[3,5-Bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-one
- 185338-32-3
- DTXSID20774771
-
- Inchi： 1S/C11H5F9O/c12-9(13,14)6-1-5(3-8(21)11(18,19)20)2-7(4-6)10(15,16)17/h1-2,4H,3H2
- InChI Key： GVIIYGVJJFAQHD-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(F)(F)F)C=C(C=1)CC(C(F)(F)F)=O)(F)F
Computed Properties
- Exact Mass: 324.01966824Da
- Monoisotopic Mass: 324.01966824Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 357
- 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: 4.4
- Topological Polar Surface Area: 17.1?2
3-[3,5-Bis(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-one Related Literature
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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
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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