Cas no 90679-50-8 (2,4,6-Trimethyl-3,5-bis(trifluoromethyl)aniline)
90679-50-8 structure
Product Name:2,4,6-Trimethyl-3,5-bis(trifluoromethyl)aniline
CAS No:90679-50-8
MF:C11H11F6N
MW:271.202163934708
CID:2812583
PubChem ID:71327551
Update Time:2025-04-21
2,4,6-Trimethyl-3,5-bis(trifluoromethyl)aniline Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70756608
- 2,4,6-Trimethyl-3,5-bis(trifluoromethyl)aniline
- 90679-50-8
-
- Inchi： 1S/C11H11F6N/c1-4-7(10(12,13)14)5(2)9(18)6(3)8(4)11(15,16)17/h18H2,1-3H3
- InChI Key： ZVVAPHHZCGWDPG-UHFFFAOYSA-N
- SMILES： FC(C1C(C)=C(C(C)=C(C(F)(F)F)C=1C)N)(F)F
Computed Properties
- Exact Mass: 271.07956833Da
- Monoisotopic Mass: 271.07956833Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 269
- 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: 26?2
2,4,6-Trimethyl-3,5-bis(trifluoromethyl)aniline Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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