Cas no 193418-14-3 ( )
structure
Product Name:
CAS No:193418-14-3
MF:C10H9F3O2
MW:218.172473669052
CID:873177
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2,2,2-trifluoro-1-[4-(2-hydroxyethyl)phenyl]ethanone
- 2,2,2-trifluoro-1-(4-(2-hydroxyethyl)phenyl)ethan-1-one
- Ethanone, 2,2,2-trifluoro-1-[4-(2-hydroxyethyl)phenyl]- (9CI)
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- Inchi： 1S/C10H9F3O2/c11-10(12,13)9(15)8-3-1-7(2-4-8)5-6-14/h1-4,14H,5-6H2
- InChI Key： AJYIDNCLMYJPRM-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(CCO)C=C1)(=O)C(F)(F)F
Computed Properties
- Exact Mass: 218.05547
- Monoisotopic Mass: 218.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 217
- 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
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- PSA: 37.3
Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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