Cas no 63804-07-9 (1,3-Butanedione, 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)-)
63804-07-9 structure
Product Name:1,3-Butanedione, 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)-
CAS No:63804-07-9
MF:C13H13F3O2
MW:258.236334562302
CID:425712
PubChem ID:43186934
Update Time:2025-04-19
1,3-Butanedione, 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione, 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)-
- 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butane-1,3-dione
- NXSHKVLRLUPJLD-UHFFFAOYSA-N
- 63804-07-9
- AKOS000210699
- DTXSID00655695
-
- Inchi： 1S/C13H13F3O2/c1-7-4-8(2)12(9(3)5-7)10(17)6-11(18)13(14,15)16/h4-5H,6H2,1-3H3
- InChI Key： NXSHKVLRLUPJLD-UHFFFAOYSA-N
- SMILES： FC(C(CC(C1C(C)=CC(C)=CC=1C)=O)=O)(F)F
Computed Properties
- Exact Mass: 258.08679
- Monoisotopic Mass: 258.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 324
- 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
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 3.7
Experimental Properties
- PSA: 34.14
1,3-Butanedione, 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)- Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
63804-07-9 (1,3-Butanedione, 4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)-) Related Products
- 326-06-7(Benzoyl-1,1,1-trifluoroacetone)
- 163266-02-2(4,4,4-Trifluoro-1-(2-methylphenyl)-1,3-butanedione)
- 53764-99-1(4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
