Cas no 197785-82-3 (Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester)
197785-82-3 structure
Product Name:Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester
CAS No:197785-82-3
MF:C8H13F3O3
MW:214.182233572006
CID:2839970
PubChem ID:9794369
Update Time:2025-04-21
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester
- 197785-82-3
- DTXSID40430786
- FWPDFCSSQIUIGD-UHFFFAOYSA-N
-
- Inchi： 1S/C8H13F3O3/c1-3-4-5-14-6(12)7(2,13)8(9,10)11/h13H,3-5H2,1-2H3
- InChI Key： FWPDFCSSQIUIGD-UHFFFAOYSA-N
- SMILES： FC(C(C)(C(=O)OCCCC)O)(F)F
Computed Properties
- Exact Mass: 214.08167876Da
- Monoisotopic Mass: 214.08167876Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 202
- 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: 2.1
- Topological Polar Surface Area: 46.5?2
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
197785-82-3 (Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester) Related Products
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