Cas no 821778-33-0 (Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-)
821778-33-0 structure
Product Name:Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-
CAS No:821778-33-0
MF:C11H7BrF9N
MW:404.069613695145
CID:697154
PubChem ID:11327142
Update Time:2025-04-19
Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-
- 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
- 821778-33-0
- SCHEMBL3050949
- DTXSID60462504
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- Inchi： 1S/C11H7BrF9N/c12-8-2-1-6(3-7(8)11(19,20)21)22(4-9(13,14)15)5-10(16,17)18/h1-3H,4-5H2
- InChI Key： IPKMVOJFFBKQIL-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1C(F)(F)F)N(CC(F)(F)F)CC(F)(F)F
Computed Properties
- Exact Mass: 402.96182g/mol
- Monoisotopic Mass: 402.96182g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 346
- 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: 5.8
- Topological Polar Surface Area: 3.2?2
Benzenamine, 4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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