Cas no 86522-18-1 (1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]propan-1-one)
![1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]propan-1-one structure](https://ossimg.kuujia.com/scimg/87000/86522-18-1x500.png)
86522-18-1 structure
Product Name:1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]propan-1-one
CAS No:86522-18-1
MF:C13H15F3O
MW:244.252814531326
CID:2809372
PubChem ID:13277670
Update Time:2025-04-21
1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL11131303
- DTXSID30534121
- 86522-18-1
- 1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]propan-1-one
- SJAKHNIIKRGQFN-UHFFFAOYSA-N
-
- Inchi： 1S/C13H15F3O/c1-3-12(17)11-6-4-10(5-7-11)8-9(2)13(14,15)16/h4-7,9H,3,8H2,1-2H3
- InChI Key： SJAKHNIIKRGQFN-UHFFFAOYSA-N
- SMILES： FC(C(C)CC1C=CC(C(CC)=O)=CC=1)(F)F
Computed Properties
- Exact Mass: 244.10749958g/mol
- Monoisotopic Mass: 244.10749958g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 252
- 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: 4.2
- Topological Polar Surface Area: 17.1?2
1-[4-(3,3,3-Trifluoro-2-methylpropyl)phenyl]propan-1-one Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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