Cas no 121194-34-1 (3,3,3-Trifluoro-1-(4-methylphenyl)propan-1-one)
121194-34-1 structure
Product Name:3,3,3-Trifluoro-1-(4-methylphenyl)propan-1-one
CAS No:121194-34-1
MF:C10H9F3O
MW:202.173073530197
CID:2189327
PubChem ID:11745698
Update Time:2025-04-21
3,3,3-Trifluoro-1-(4-methylphenyl)propan-1-one Chemical and Physical Properties
Names and Identifiers
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- 3,3,3-Trifluoro-1-(4-methylphenyl)propan-1-one
- 3,3,3-trifluoro-1-(p-tolyl)-propan-1-one
- SCHEMBL20202561
- DB-293802
- 3,3,3-trifluoro-1-(4-methylphenyl)-1-propanone
- LPDOSBVQJBUGLG-UHFFFAOYSA-N
- 121194-34-1
-
- Inchi： 1S/C10H9F3O/c1-7-2-4-8(5-3-7)9(14)6-10(11,12)13/h2-5H,6H2,1H3
- InChI Key： LPDOSBVQJBUGLG-UHFFFAOYSA-N
- SMILES： FC(CC(C1C=CC(C)=CC=1)=O)(F)F
Computed Properties
- Exact Mass: 202.06054939Da
- Monoisotopic Mass: 202.06054939Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 202
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
3,3,3-Trifluoro-1-(4-methylphenyl)propan-1-one Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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