Cas no 149526-95-4 (Propan-2-yl 3,3,3-trifluoro-2-hydroxypropanoate)
149526-95-4 structure
Product Name:Propan-2-yl 3,3,3-trifluoro-2-hydroxypropanoate
CAS No:149526-95-4
MF:C6H9F3O3
MW:186.129072904587
CID:2778592
PubChem ID:71346257
Update Time:2025-04-21
Propan-2-yl 3,3,3-trifluoro-2-hydroxypropanoate Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3,3,3-trifluoro-2-hydroxy-, 1-methylethyl ester
- DTXSID10772403
- Propan-2-yl 3,3,3-trifluoro-2-hydroxypropanoate
- SCHEMBL9363946
- 149526-95-4
- DTXCID00723146
- isopropyl (3,3,3-trifluoro)lactate
- ISOPROPYL 3,3,3-TRIFLUORO-2-HYDROXYPROPANOATE
- PWDQWZKGRJRHSH-UHFFFAOYSA-N
-
- Inchi： 1S/C6H9F3O3/c1-3(2)12-5(11)4(10)6(7,8)9/h3-4,10H,1-2H3
- InChI Key： PWDQWZKGRJRHSH-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)OC(C)C)O)(F)F
Computed Properties
- Exact Mass: 186.05037863g/mol
- Monoisotopic Mass: 186.05037863g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 164
- 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: 1.4
- Topological Polar Surface Area: 46.5?2
Propan-2-yl 3,3,3-trifluoro-2-hydroxypropanoate Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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