Cas no 1705-17-5 (1-Pentanone, 1-[3-(trifluoromethyl)phenyl]-)
![1-Pentanone, 1-[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/2000/1705-17-5x500.png)
1705-17-5 structure
Product Name:1-Pentanone, 1-[3-(trifluoromethyl)phenyl]-
CAS No:1705-17-5
MF:C12H13F3O
MW:230.226234197617
CID:1352778
PubChem ID:62622246
Update Time:2023-10-31
1-Pentanone, 1-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 1-[3-(trifluoromethyl)phenyl]-
- 1-[3-(trifluoromethyl)phenyl]pentan-1-one
- 1705-17-5
- DTXSID60734435
- SCHEMBL17134152
- 1-(3-Trifluoromethyl-phenyl)-pentan-1-one
- AKOS011915312
- 1-Pentanone,1-[3-(trifluoromethyl)phenyl]-
- N14006
- KBVQREWJMPESHT-UHFFFAOYSA-N
-
- Inchi： 1S/C12H13F3O/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,2-3,7H2,1H3
- InChI Key： KBVQREWJMPESHT-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)C(CCCC)=O)(F)F
Computed Properties
- Exact Mass: 230.09189
- Monoisotopic Mass: 230.09184952g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 235
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Pentanone, 1-[3-(trifluoromethyl)phenyl]- Related Literature
-
Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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