Cas no 1807120-46-2 (2,5-Bis(trifluoromethyl)-3-fluoroaniline)
1807120-46-2 structure
Product Name:2,5-Bis(trifluoromethyl)-3-fluoroaniline
CAS No:1807120-46-2
MF:C8H4F7N
MW:247.112886428833
CID:4708014
Update Time:2023-08-15
2,5-Bis(trifluoromethyl)-3-fluoroaniline Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Bis(trifluoromethyl)-3-fluoroaniline
- 3-Fluoro-2,5-bis(trifluoromethyl)aniline
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- Inchi： 1S/C8H4F7N/c9-4-1-3(7(10,11)12)2-5(16)6(4)8(13,14)15/h1-2H,16H2
- InChI Key： WEMZMBAHIWCLGG-UHFFFAOYSA-N
- SMILES： FC1=CC(C(F)(F)F)=CC(=C1C(F)(F)F)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 246
- Topological Polar Surface Area: 26
2,5-Bis(trifluoromethyl)-3-fluoroaniline Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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