Cas no 62368-85-8 (Cycloheptanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-)
![Cycloheptanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- structure](https://ossimg.kuujia.com/scimg/62500/62368-85-8x500.png)
62368-85-8 structure
Product Name:Cycloheptanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-
CAS No:62368-85-8
MF:C16H17F3O2
MW:298.300195455551
CID:447686
PubChem ID:21491568
Update Time:2025-04-19
Cycloheptanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-
- 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-one
- DTXSID60614804
- 62368-85-8
- 2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cycloheptan-1-one
- SCHEMBL11866680
- UALLGUZRWNHQEQ-UHFFFAOYSA-N
-
- Inchi： 1S/C16H17F3O2/c17-16(18,19)13-7-4-6-11(9-13)15(21)10-12-5-2-1-3-8-14(12)20/h4,6-7,9,12H,1-3,5,8,10H2
- InChI Key： UALLGUZRWNHQEQ-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)C(CC1C(CCCCC1)=O)=O)(F)F
Computed Properties
- Exact Mass: 298.11811
- Monoisotopic Mass: 298.11806427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 390
- 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: 3.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cycloheptanone, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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