Cas no 821777-55-3 (Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-)
![Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/822000/821777-55-3x500.png)
821777-55-3 structure
Product Name:Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
CAS No:821777-55-3
MF:C12H7F9N2
MW:350.183014154434
CID:697221
PubChem ID:11462222
Update Time:2025-04-19
Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
- 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
- OYFKBNSLEHOXOG-UHFFFAOYSA-N
- 4-(bis(2,2,2-trifluoroethyl)amino)-2-(trifluoromethyl)benzonitrile
- 821777-55-3
- SCHEMBL3055003
- DTXSID30466711
-
- Inchi： 1S/C12H7F9N2/c13-10(14,15)5-23(6-11(16,17)18)8-2-1-7(4-22)9(3-8)12(19,20)21/h1-3H,5-6H2
- InChI Key： OYFKBNSLEHOXOG-UHFFFAOYSA-N
- SMILES： FC(CN(CC(F)(F)F)C1C=CC(C#N)=C(C(F)(F)F)C=1)(F)F
Computed Properties
- Exact Mass: 350.04655169g/mol
- Monoisotopic Mass: 350.04655169g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 426
- 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: 4.9
- Topological Polar Surface Area: 27?2
Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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