Cas no 821777-63-3 (Benzonitrile, 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-)
![Benzonitrile, 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/822000/821777-63-3x500.png)
821777-63-3 structure
Product Name:Benzonitrile, 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
CAS No:821777-63-3
MF:C12H10F6N2
MW:296.211623668671
CID:697214
PubChem ID:61606485
Update Time:2025-04-19
Benzonitrile, 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
- 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
- SCHEMBL3051139
- AKOS010870147
- 821777-63-3
- DTXSID40734236
-
- Inchi： 1S/C12H10F6N2/c1-2-20(7-11(13,14)15)9-4-3-8(6-19)10(5-9)12(16,17)18/h3-5H,2,7H2,1H3
- InChI Key： KZPQQMPMOYOBBW-UHFFFAOYSA-N
- SMILES： FC(CN(CC)C1C=CC(C#N)=C(C(F)(F)F)C=1)(F)F
Computed Properties
- Exact Mass: 296.07481730g/mol
- Monoisotopic Mass: 296.07481730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 366
- 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: 4.1
- Topological Polar Surface Area: 27?2
Benzonitrile, 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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