Cas no 54669-74-8 (Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-)
![Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- structure](https://ossimg.kuujia.com/scimg/55000/54669-74-8x500.png)
54669-74-8 structure
Product Name:Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-
CAS No:54669-74-8
MF:C15H15F3O2
MW:284.273615121841
CID:353975
PubChem ID:12270334
Update Time:2025-04-19
Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-
- 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-one
- SCHEMBL11832840
- 2-(m-Trifluoromethylphenacyl)cyclohexanone
- DTXSID90483363
- 54669-74-8
-
- Inchi： 1S/C15H15F3O2/c16-15(17,18)12-6-3-5-10(8-12)14(20)9-11-4-1-2-7-13(11)19/h3,5-6,8,11H,1-2,4,7,9H2
- InChI Key： BYLKHCBYQSZXNC-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)C(CC1C(CCCC1)=O)=O)(F)F
Computed Properties
- Exact Mass: 284.10245
- Monoisotopic Mass: 284.10241420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
54669-74-8 (Cyclohexanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-) Related Products
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