Cas no 88128-46-5 (Butanoic acid, 2,2-difluoro-4-hydroxy-, ethyl ester)
88128-46-5 structure
Product Name:Butanoic acid, 2,2-difluoro-4-hydroxy-, ethyl ester
CAS No:88128-46-5
MF:C6H10F2O3
MW:168.138609409332
CID:644074
PubChem ID:13189245
Update Time:2025-04-19
Butanoic acid, 2,2-difluoro-4-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,2-difluoro-4-hydroxy-, ethyl ester
- ethyl 2,2-difluoro-4-hydroxybutanoate
- ethyl 2,2-difluoro-4-hydroxybutyrate
- DTXSID80525948
- 88128-46-5
- SCHEMBL1801141
-
- Inchi： 1S/C6H10F2O3/c1-2-11-5(10)6(7,8)3-4-9/h9H,2-4H2,1H3
- InChI Key： UTLYELLVHGMANR-UHFFFAOYSA-N
- SMILES： FC(C(=O)OCC)(CCO)F
Computed Properties
- Exact Mass: 168.05980050g/mol
- Monoisotopic Mass: 168.05980050g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 136
- 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: 0.8
- Topological Polar Surface Area: 46.5?2
Butanoic acid, 2,2-difluoro-4-hydroxy-, ethyl ester Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
88128-46-5 (Butanoic acid, 2,2-difluoro-4-hydroxy-, ethyl ester) Related Products
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