Cas no 108781-46-0 (Methyl 2,2-difluoro-4-hydroxybutanoate)
108781-46-0 structure
Product Name:Methyl 2,2-difluoro-4-hydroxybutanoate
CAS No:108781-46-0
MF:C5H8F2O3
MW:154.112029075623
CID:1186766
PubChem ID:13935576
Update Time:2025-04-20
Methyl 2,2-difluoro-4-hydroxybutanoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2,2-difluoro-4-hydroxybutanoate
- DTXSID80552870
- methyl 2,2-difluoro-4-hydroxybutyrate
- SCHEMBL4122163
- 2,2-Difluoro-4-hydroxy-butyric acid methyl ester
- 108781-46-0
-
- Inchi： 1S/C5H8F2O3/c1-10-4(9)5(6,7)2-3-8/h8H,2-3H2,1H3
- InChI Key： YZBFAHWDZPMVNV-UHFFFAOYSA-N
- SMILES： FC(C(=O)OC)(CCO)F
Computed Properties
- Exact Mass: 154.04414
- Monoisotopic Mass: 154.04415044g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 124
- 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: 0.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Methyl 2,2-difluoro-4-hydroxybutanoate Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
108781-46-0 (Methyl 2,2-difluoro-4-hydroxybutanoate) Related Products
- 1000339-45-6(Butyl 2,2-difluorobutanoate)
- 50889-47-9(Methyl 2,2-difluorohexanoate)
- 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)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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