Cas no 351388-97-1 (Ethanone,2,2,2-trifluoro-1-(1H-pyrazol-1-yl)-)
351388-97-1 structure
Product Name:Ethanone,2,2,2-trifluoro-1-(1H-pyrazol-1-yl)-
CAS No:351388-97-1
MF:C5H3F3N2O
MW:164.085331201553
CID:302902
PubChem ID:3454080
Update Time:2025-04-19
Ethanone,2,2,2-trifluoro-1-(1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2,2,2-trifluoro-1-(1H-pyrazol-1-yl)-
- 1H-Pyrazole,1-(trifluoroacetyl)- (9CI)
- 2,2,2-Trifluoro-1-(1H-pyrazol-1-yl)ethanone
- AKOS003847514
- 1H-Pyrazole,1-(trifluoroacetyl)-(9ci)
- 351388-97-1
-
- Inchi： 1S/C5H3F3N2O/c6-5(7,8)4(11)10-3-1-2-9-10/h1-3H
- InChI Key： INDDUZGKAYXNIT-UHFFFAOYSA-N
- SMILES： FC(C(N1C=CC=N1)=O)(F)F
Computed Properties
- Exact Mass: 164.01979
- Monoisotopic Mass: 164.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 168
- 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: 1.2
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
Ethanone,2,2,2-trifluoro-1-(1H-pyrazol-1-yl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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