Cas no 921932-49-2 (1-Butanone, 4,4,4-trifluoro-3-(4-methylphenyl)-1-phenyl-)
921932-49-2 structure
Product Name:1-Butanone, 4,4,4-trifluoro-3-(4-methylphenyl)-1-phenyl-
CAS No:921932-49-2
MF:C17H15F3O
MW:292.295615434647
CID:742915
PubChem ID:71421952
Update Time:2025-04-19
1-Butanone, 4,4,4-trifluoro-3-(4-methylphenyl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 4,4,4-trifluoro-3-(4-methylphenyl)-1-phenyl-
- 4,4,4-trifluoro-3-(4-methylphenyl)-1-phenylbutan-1-one
- DTXSID90840997
- 921932-49-2
-
- Inchi： 1S/C17H15F3O/c1-12-7-9-13(10-8-12)15(17(18,19)20)11-16(21)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3
- InChI Key： NDZCGIOJQVHVGT-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC(C)=CC=1)CC(C1C=CC=CC=1)=O)(F)F
Computed Properties
- Exact Mass: 292.10749958g/mol
- Monoisotopic Mass: 292.10749958g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 336
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 17.1?2
1-Butanone, 4,4,4-trifluoro-3-(4-methylphenyl)-1-phenyl- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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