Cas no 821777-49-5 (Benzonitrile, 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)-)
![Benzonitrile, 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/822000/821777-49-5x500.png)
821777-49-5 structure
Product Name:Benzonitrile, 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)-
CAS No:821777-49-5
MF:C12H11F5N2
MW:278.221160173416
CID:697227
PubChem ID:71419899
Update Time:2025-04-19
Benzonitrile, 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)-
- 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
- 821777-49-5
- DTXSID40839114
- SCHEMBL3054127
-
- Inchi： 1S/C12H11F5N2/c13-3-5-19(6-4-14)10-2-1-9(8-18)11(7-10)12(15,16)17/h1-2,7H,3-6H2
- InChI Key： HFTTZUZIIUMTRK-UHFFFAOYSA-N
- SMILES： FCCN(CCF)C1C=CC(C#N)=C(C(F)(F)F)C=1
Computed Properties
- Exact Mass: 278.08423917g/mol
- Monoisotopic Mass: 278.08423917g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 316
- 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: 3.3
- Topological Polar Surface Area: 27?2
Benzonitrile, 4-[bis(2-fluoroethyl)amino]-2-(trifluoromethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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