Cas no 121412-30-4 (Ethanone,2,2-difluoro-1-(4-methyl-1-piperazinyl)-)
121412-30-4 structure
Product Name:Ethanone,2,2-difluoro-1-(4-methyl-1-piperazinyl)-
CAS No:121412-30-4
MF:C7H12F2N2O
MW:178.179788589478
CID:133311
PubChem ID:45080794
Update Time:2025-04-19
Ethanone,2,2-difluoro-1-(4-methyl-1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2,2-difluoro-1-(4-methyl-1-piperazinyl)-
- 1-(2,2-DIFLUOROACETYL)-4-METHYL-PIPERAZINE
- 2,2-difluoro-1-(4-methylpiperazin-1-yl)ethanone
- Piperazine, 1-(2,2-difluoroacetyl)-4-methyl- (9CI)
- ACMC-1C6QA
- AG-D-46486
- CTK4B2348
- 2,2-Difluoro-1-(4-methylpiperazin-1-yl)ethan-1-one
- SWEXQSFJJXSYLB-UHFFFAOYSA-N
- DTXSID10664091
- SCHEMBL13841304
- 121412-30-4
-
- Inchi： 1S/C7H12F2N2O/c1-10-2-4-11(5-3-10)7(12)6(8)9/h6H,2-5H2,1H3
- InChI Key： SWEXQSFJJXSYLB-UHFFFAOYSA-N
- SMILES： FC(C(N1CCN(C)CC1)=O)F
Computed Properties
- Exact Mass: 178.09186
- Monoisotopic Mass: 178.09176933g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 0.4
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
Ethanone,2,2-difluoro-1-(4-methyl-1-piperazinyl)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
121412-30-4 (Ethanone,2,2-difluoro-1-(4-methyl-1-piperazinyl)-) Related Products
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