Cas no 942475-13-0 (1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone)
942475-13-0 structure
Product Name:1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone
CAS No:942475-13-0
MF:C12H13F3O
MW:230.226234197617
CID:3157473
PubChem ID:26597830
Update Time:2025-04-21
1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone
- 942475-13-0
- 3,5-Diethyl-2,2,2-trifluoroacetophenone
- 1-(3,5-Diethylphenyl)-2,2,2-trifluoroethan-1-one
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- MDL: MFCD09750905
- Inchi: 1S/C12H13F3O/c1-3-8-5-9(4-2)7-10(6-8)11(16)12(13,14)15/h5-7H,3-4H2,1-2H3
- InChI Key: OFZOKSOHLNQNOV-UHFFFAOYSA-N
- SMILES: FC(C(C1C=C(CC)C=C(C=1)CC)=O)(F)F
Computed Properties
- Exact Mass: 230.09184952Da
- Monoisotopic Mass: 230.09184952Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- 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: 4.3
- Topological Polar Surface Area: 17.1?2
1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone Related Literature
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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
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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